SCHEMBL6596256

SCHEMBL6596256

COc1ccc(C(CCN2CCCN(c3nc4ccccc4n3Cc3ccccn3)CC2)CN(C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.46
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TACR2 P21452 2/20 0.39
KCNH2 Q12809 2/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6594042 0.96 HRH1 (0.44) HRH1TACR2POLB
SCHEMBL6599239 0.94 HRH1 (0.46) HRH1ALDH1A1TACR2CYP2D6CHRM1
SCHEMBL6597309 0.92 LMNA (0.45) HRH1LMNAMAPTALDH1A1TSHR
SCHEMBL6595760 0.92 TACR2 (0.50) HRH1TACR2
SCHEMBL6595773 0.91 HRH1 (0.42) HRH1TACR2
SCHEMBL6595395 0.89 TACR2 (0.44) LMNAMAPTALDH1A1TSHRTDP1
SCHEMBL6599264 0.89 HRH1 (0.45) HRH1LMNAMAPTALDH1A1TACR2
SCHEMBL6595781 0.88 HRH1 (0.42) HRH1LMNAMAPTALDH1A1TSHR
SCHEMBL6597644 0.88 LMNA (0.45) LMNAMAPTALDH1A1TSHRTDP1
SCHEMBL6596565 0.88 LMNA (0.43) HRH1LMNAMAPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888338-B1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2004-11-17 EP disclosed
EP-0888338-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 EP disclosed
WO-1997030991-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed