SCHEMBL7138183

SCHEMBL7138183

Nc1ccc(-c2ccc(CCc3ccccc3)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.86
MAOA P21397 5/20 0.86
GFER P55789 1/20 0.67
TAAR1 Q96RJ0 3/20 0.64
CYP3A4 P08684 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
HSD17B10 Q99714 1/20 0.64
CYP19A1 P11511 2/20 0.59
HTR2A P28223 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP2A6 P11509 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
SIGMAR1 Q99720 1/20 0.50
KCNH2 Q12809 1/20 0.47
FFAR1 O14842 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL9826756 0.95 MAOB (0.77) MAOBMAOAGFERTAAR1CYP3A4
SCHEMBL4082319 0.93 MAOB (1.00) MAOBMAOAGFERTAAR1CYP3A4
Hydrochloric Acid SCHEMBL8746114 0.90 MAOB (1.00) MAOBMAOAGFERTAAR1CYP3A4
SCHEMBL19139334 0.86 CYP3A4 (0.67) MAOBMAOAGFERTAAR1CYP3A4
SCHEMBL5551465 0.85 FFAR1 (0.60) MAOBMAOATAAR1TDP1HSD17B10
SCHEMBL9798973 0.83 MAOB (0.91) MAOBMAOAGFERTAAR1CYP19A1
Benzidine SCHEMBL28918829 0.83 CYP3A4 (0.67) MAOBMAOATAAR1CYP3A4TDP1
SCHEMBL3767602 0.83 MAOB (1.00) MAOBMAOAGFERTAAR1CYP19A1
Tannin Pyrogallol SCHEMBL29187612 0.82 ALDH1A1 (0.56) MAOBMAOATAAR1TDP1HSD17B10
SCHEMBL3482833 0.82 GFER (1.00) MAOBMAOAGFERCYP3A4TDP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789577-B1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 2003-03-12 EP disclosed
EP-1258492-A1 N-substituted oligomers and methods for their synthesis, e.g. polyglycine bearing nucleic acid bases CHIRON CORPORATION (US) 2002-11-20 EP disclosed
US-5977301-A AUTOMATED AND EFFICIENT SYNTHESIS BY REACTING SOLID SUPPORT BOUND AMINE WITH AN ACYLATING SUBMONOMER TO PRODUCE A SOLID SUPPORT-BOUND AMIDE WHICH CAN BE FURTHER REACTED; ONLY REACTIVE SIDE CHAINS NEED PROTECTED CHIRON CORPORATION (US) 1999-11-02 US disclosed
US-5877278-A SOLID PHASE SYNTHESIS USING TWO SUBMONOMERS-AN ACYLATING AGENT, E.G. A HALOACETIC ACID, AND A PRIMARY AMINE; CYCLIZATION TO PRODUCE MIMETICS OF DRUGS; ELIMINATION OF THE NECESSITY OF PROTECTION GROUPS CHIRON CORPORATION (US) 1999-03-02 US disclosed
US-5831005-A ACYLATION, NUCLEOPHILIC DISPLACEMENT CYCLES CHIRON CORPORATION (US) 1998-11-03 US disclosed
EP-0671928-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS. CHIRON CORP (US) 1997-04-23 EP disclosed
US-5480871-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CHIRON CORPORATION (US) 1996-01-02 US disclosed
EP-0671928-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1995-09-20 EP disclosed
US-5447916-A Hypotensive agents CHIRON CORPORATION (US) 1995-09-05 US disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 WO disclosed
WO-1994006451-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1994-03-31 WO disclosed