SCHEMBL7494165

SCHEMBL7494165

COc1cc(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(C)o3)CC2)c2cccc(Cl)c2)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 11/20 0.41
SSTR5 P35346 3/20 0.41
CCR5 P51681 2/20 0.41
KCNH2 Q12809 2/20 0.39
EED O75530 2/20 0.39
HRH1 P35367 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

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
SCHEMBL7495553 0.95 TACR2 (0.41) TACR2SSTR5CCR5KCNH2EED
SCHEMBL7494768 0.94 TACR2 (0.42) TACR2SSTR5KCNH2EEDHRH1
SCHEMBL7500199 0.94 SSTR5 (0.42) TACR2SSTR5CCR5KCNH2EED
SCHEMBL7497121 0.94 KCNH2 (0.42) TACR2SSTR5KCNH2EEDHRH1
SCHEMBL7496205 0.93 TACR2 (0.49) TACR2
SCHEMBL7503335 0.92 TACR2 (0.41) TACR2SSTR5KCNH2EEDHRH1
SCHEMBL7496364 0.92 SSTR5 (0.42) TACR2SSTR5CCR5KCNH2EED
SCHEMBL7497688 0.92 TACR2 (0.49) TACR2
SCHEMBL7492025 0.91 HRH1 (0.46) TACR2SSTR5CCR5KCNH2EED
SCHEMBL7495732 0.91 KCNH2 (0.46) TACR2SSTR5KCNH2EEDHRH1

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