SCHEMBL7499047

SCHEMBL7499047

COc1ccc(C(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(C)o3)CC2)CN(C)C(=O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.49
TACR2 P21452 10/20 0.47
EED O75530 2/20 0.47
SSTR5 P35346 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
MLNR O43193 1/20 0.47
CACNA1F O60840 1/20 0.47
USP2 O75604 1/20 0.47
ABCB11 O95342 1/20 0.47
EGFR P00533 1/20 0.47
HLA-A P04439 1/20 0.47
ERBB2 P04626 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47

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
SCHEMBL7496183 0.94 TACR2 (0.47) KCNH2TACR2SSTR5
SCHEMBL7497951 0.93 TACR2 (0.45) KCNH2TACR2EEDSSTR5LMNA
SCHEMBL7495732 0.93 KCNH2 (0.46) KCNH2TACR2EEDSSTR5LMNA
SCHEMBL7489870 0.92 SSTR5 (0.48) KCNH2TACR2EEDSSTR5LMNA
SCHEMBL7500757 0.92 TACR2 (0.49) TACR2
SCHEMBL7498938 0.92 TACR2 (0.47) KCNH2TACR2
SCHEMBL7496638 0.90 KCNH2 (0.50) KCNH2TACR2EEDSSTR5LMNA
SCHEMBL7500199 0.89 SSTR5 (0.42) KCNH2TACR2EEDSSTR5LMNA
SCHEMBL7495530 0.89 TACR2 (0.47) TACR2
SCHEMBL7500316 0.89 TACR2 (0.59) TACR2

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 2 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