SCHEMBL4192452

SCHEMBL4192452

FC(F)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.52
LOXL2 Q9Y4K0 2/20 0.52
CYP2A6 P11509 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAOA P21397 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
ANPEP P15144 2/20 0.45
ERAP1 Q9NZ08 2/20 0.45
ERAP2 Q6P179 1/20 0.45
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
ACP3 P15309 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16934138 0.85 SIGMAR1 (0.48) HTR2ASMN1; SMN2MAOAIDO1
SCHEMBL4269160 0.83 MAOA (0.52) MAOAL3MBTL1
SCHEMBL16933719 0.81 SIGMAR1 (0.52) MAOA
SCHEMBL6053415 0.81 SIGMAR1 (0.52) MAOA
SCHEMBL6053288 0.81 SIGMAR1 (0.52) MAOA
SCHEMBL9643440 0.81 GRIN2B (0.45) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
SCHEMBL28495396 0.80 TSHR (0.48) SMN1; SMN2ALDH1A1HPGDALOX15ALOX12
SCHEMBL2124923 0.80 TSHR (0.48) SMN1; SMN2ALDH1A1HPGDALOX15ALOX12
SCHEMBL4011582 0.80 TDP1 (0.48) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1
SCHEMBL8377393 0.80 TDP1 (0.48) HTR2ALOXL2CYP2A6SMN1; SMN2TAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 125 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492397-B1 SUCH AS 1-PROPYL-4-BUTYL-1,3-DIHYDRO-3-((5-(2-(1H-TETRAZOL-5-YL)PHENYL)-2 -PYRIDINYL)METHYL)-2H-IMIDAZOL-2-ONE; ANGIO-TENSIN II ANTAGONISTS; CIRCULATORY DISORDERS; HYPERTENSION, CONGESTIVE HEART FAILURE PHARMACIA CORPORATION 2002-12-10 US claimed
US-6451833-B1 ANGIOTENSIN ANTAGONISTS PHARMACIA CORPORATION 2002-09-17 US claimed
US-6090828-A ARTHERIOSCLEROSIS REITZ DAVID B (US) 2000-07-18 US claimed
US-6008368-A USEFUL FOR TREATING HYPERTENSION AND CONGESTIVE HEART FAILURE; NONPEPTIDIC G. D. SEARLE & CO. (US) 1999-12-28 US claimed
US-5861420-A ANGIOTENSIN II ANTAGONISTS G. D. SEARLE & CO. (US) 1999-01-19 US claimed
US-5643906-A LOWERING INTRAOCULAR PRESSURE FOR TREATMENT OF GLAUCOMA G.D. SEARLE & CO. (US) 1997-07-01 US claimed
US-5602153-A Method of using 1-arylheteroarylalkyl substituted-1H-1,2,4-triazole compounds for treatment of a giaucoma disorder G.D. SEARLE & CO. (US) 1997-02-11 US claimed
US-5563139-A Method of using 1-arylheteroarylalkyl substituted-1H-1,2,4-triazole compounds for treatment of a glaucoma disorder G. D. SEARLE & CO. (US) 1996-10-08 US claimed
EP-0508445-B1 1-Arylheteroarylalkyl substituted-1H-1,2,4-triazole compounds for treatment of circulatory disorders SEARLE & CO (US) 1996-06-12 EP claimed
EP-0619819-B1 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS SEARLE & CO (US) 1996-06-12 EP claimed
EP-0508445-A1 1-Arylheteroarylalkyl substituted-1H-1,2,4-triazole compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-10-14 EP claimed
EP-0508393-A1 N-arylheteroarylalkyl imidazol-2-one compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-10-14 EP claimed
US-5155117-A Hypotensive agents G. D. SEARLE & CO. (US) 1992-10-13 US claimed
WO-1992016523-A1 5-ARYLHETEROARYLALKYL-1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-10-01 WO claimed
EP-0504888-A1 5-Arylheteroarylalkyl-1,3,5-trisubstituted-1,2,4-triazole compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-09-23 EP claimed
WO-1992015577-A1 N-SUBSTITUTED (ALPHA-IMIDAZOLYL-TOLUYL) PYRROLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-09-17 WO claimed
US-5140036-A Hypotensive agents; congestive heart failure; angiotensin antagonists G. D. SEARLE & CO. (US) 1992-08-18 US claimed
WO-1992011255-A1 N-SUBSTITUTED N-(α-TRIAZOLYL-TOLUYL)PYRROLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-07-09 WO claimed
WO-1992007834-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO claimed
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO claimed