SCHEMBL6595348

SCHEMBL6595348

COc1cccc(C(CCN2CCCN(c3nc4ccccc4n3Cc3ccco3)CC2)CN(C)C(=O)c2cc(OC)c(OC)c(OC)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.42
MAPT P10636 4/20 0.38
TACR2 P21452 3/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 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
SCHEMBL6594153 0.94 HRH1 (0.45) HRH1MAPTTACR2LMNAALDH1A1
SCHEMBL6595781 0.94 HRH1 (0.42) HRH1MAPTTACR2LMNAALDH1A1
SCHEMBL6596511 0.93 HRH1 (0.43) HRH1TACR2
SCHEMBL6599369 0.93 TACR2 (0.44) MAPTTACR2LMNAALDH1A1TSHR
SCHEMBL6596376 0.93 HRH1 (0.42) HRH1MAPTTACR2LMNAALDH1A1
SCHEMBL6594208 0.92 HRH1 (0.40) HRH1MAPTTACR2ALDH1A1TSHR
SCHEMBL6596218 0.92 HRH1 (0.42) HRH1MAPTTACR2LMNAALDH1A1
SCHEMBL6597240 0.92 HRH1 (0.42) HRH1MAPTTACR2LMNAALDH1A1
SCHEMBL6596490 0.91 TACR2 (0.37) HRH1MAPTTACR2LMNAALDH1A1
SCHEMBL6594052 0.91 TACR2 (0.49) HRH1TACR2

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