SCHEMBL7498100

SCHEMBL7498100

COc1cc(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4n3CCCC(F)(F)F)CC2)c2ccccc2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.44
TACR2 P21452 12/20 0.42
SSTR5 P35346 2/20 0.41
CCR5 P51681 2/20 0.40
EED O75530 2/20 0.39
MEN1 O00255 1/20 0.39
MLNR O43193 1/20 0.39
CACNA1F O60840 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
CHRM4 P08173 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
SCHEMBL7493513 0.96 SSTR5 (0.46) KCNH2TACR2SSTR5EEDMEN1
SCHEMBL7501800 0.96 KCNH2 (0.49) KCNH2TACR2SSTR5EEDMEN1
SCHEMBL7501175 0.94 CCR5 (0.43) KCNH2TACR2SSTR5CCR5
SCHEMBL7500125 0.93 KCNH2 (0.44) KCNH2TACR2SSTR5CCR5EED
SCHEMBL7499132 0.93 TACR2 (0.51) TACR2
SCHEMBL7504280 0.92 KCNH2 (0.52) KCNH2TACR2SSTR5CCR5MC4R
SCHEMBL7496857 0.91 KCNH2 (0.43) KCNH2TACR2SSTR5CCR5EED
SCHEMBL7494561 0.91 KCNH2 (0.44) KCNH2TACR2SSTR5CCR5EED
SCHEMBL7492977 0.91 TACR2 (0.48) KCNH2TACR2
SCHEMBL7504041 0.89 KCNH2 (0.52) KCNH2TACR2SSTR5EEDMEN1

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