SCHEMBL7494069

SCHEMBL7494069

COc1cc(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4n3CCOC(C)C)CC2)c2ccccc2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.47
TACR2 P21452 12/20 0.42
SSTR5 P35346 2/20 0.41
HRH1 P35367 2/20 0.40
CCR5 P51681 1/20 0.40
MEN1 O00255 1/20 0.39
MLNR O43193 1/20 0.39
CACNA1F O60840 1/20 0.39
EED O75530 1/20 0.39
USP2 O75604 1/20 0.39
ABCB11 O95342 1/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 1/20 0.39
HLA-A P04439 1/20 0.39
ERBB2 P04626 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL7494661 0.96 KCNH2 (0.52) KCNH2TACR2SSTR5HRH1MEN1
SCHEMBL7499807 0.95 SSTR5 (0.46) KCNH2TACR2SSTR5HRH1MEN1
SCHEMBL7498160 0.94 TACR2 (0.44) KCNH2TACR2SSTR5CCR5TACR1
SCHEMBL7499627 0.93 HRH1 (0.47) KCNH2TACR2SSTR5HRH1
SCHEMBL7492659 0.93 TACR2 (0.52) TACR2
SCHEMBL7494080 0.92 KCNH2 (0.45) KCNH2TACR2SSTR5HRH1CCR5
SCHEMBL7497636 0.91 TACR2 (0.48) KCNH2TACR2
SCHEMBL7494561 0.91 KCNH2 (0.44) KCNH2TACR2SSTR5HRH1CCR5
SCHEMBL7504280 0.90 KCNH2 (0.52) KCNH2TACR2SSTR5CCR5MC4R
SCHEMBL7496857 0.90 KCNH2 (0.43) KCNH2TACR2SSTR5HRH1CCR5

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-0888336-B1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)P IPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-08-07 EP disclosed
US-5922737-A Substituted N-methyl-N-(4-(4-(1H-Benzimidazol-2-YL-amino) piperidin-1-YL)-2-(arlyl) butyl) benzamides useful for the treatment of allergic diseases HOECHST MARION ROUSSEL, INC. (US) 1999-07-13 US disclosed
EP-0888336-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)P IPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 EP disclosed
WO-1997030989-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed