SCHEMBL6992902

SCHEMBL6992902

COc1cc(CN2CCC(CCO)(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 6/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.35
TACR1 P25103 1/20 0.35

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
SCHEMBL6995389 0.91 KMT2A (0.39) MEN1KMT2ASMN1; SMN2NPSR1L3MBTL1
SCHEMBL6997994 0.86 CYP2D6 (0.37) USP2ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL7486265 0.85 TSHR (0.49) USP2ALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL27403251 0.85 KMT2A (0.39) MEN1KMT2ASMN1; SMN2NPSR1L3MBTL1
SCHEMBL7003238 0.85 TSHR (0.33) USP2ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL6992507 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1POLBMAPK1
SCHEMBL6999204 0.84 MAPK1 (0.46) ALDH1A1CYP2C9MEN1KMT2ACYP3A4
SCHEMBL7956133 0.84 KDM4E (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL6998261 0.83 SMN1; SMN2 (0.46) ALDH1A1CYP2C9MEN1KMT2ACYP3A4
SCHEMBL7983383 0.82 KMT2A (0.42) USP2ALDH1A1CYP2C9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920425-B1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2003-02-19 EP disclosed
US-6211199-B1 HISTAMINE AND TACHYKININ RECEPTOR ANTAGONISTS; ANTIASTHMATICS, ANTIEMETICS; RESPIRATORY SYSTEM DISORDERS, INFLAMMATORY BOWEL DISEASE, CONJUNCTIVITIS AVENTIS PHARMACEUTICALS INC. 2001-04-03 US disclosed
EP-0920425-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-06-09 EP disclosed
WO-1997019074-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-05-29 WO disclosed