SCHEMBL7488403

SCHEMBL7488403

COc1cc(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(C)o3)CC2)c2ccc(F)cc2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.47
KCNH2 Q12809 7/20 0.45
HRH1 P35367 5/20 0.45
TACR2 P21452 3/20 0.45
EED O75530 2/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
HRH4 Q9H3N8 2/20 0.45
TACR1 P25103 2/20 0.45
MEN1 O00255 1/20 0.45
MLNR O43193 1/20 0.45
CACNA1F O60840 1/20 0.45
USP2 O75604 1/20 0.45
ABCB11 O95342 1/20 0.45
EGFR P00533 1/20 0.45
HLA-A P04439 1/20 0.45
ERBB2 P04626 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
LCK P06239 1/20 0.45

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
SCHEMBL7500199 0.95 SSTR5 (0.42) SSTR5KCNH2HRH1TACR2EED
SCHEMBL7495732 0.95 KCNH2 (0.46) SSTR5KCNH2HRH1TACR2EED
SCHEMBL7496364 0.94 SSTR5 (0.42) SSTR5KCNH2HRH1TACR2EED
SCHEMBL7545049 0.94 SSTR5 (0.47) SSTR5KCNH2HRH1TACR2EED
SCHEMBL7494768 0.94 TACR2 (0.42) SSTR5KCNH2HRH1TACR2EED
SCHEMBL7503335 0.94 TACR2 (0.41) SSTR5KCNH2HRH1TACR2EED
SCHEMBL7496205 0.92 TACR2 (0.49) TACR2
SCHEMBL7497121 0.91 KCNH2 (0.42) SSTR5KCNH2HRH1TACR2EED
SCHEMBL7491892 0.91 SSTR5 (0.48) SSTR5KCNH2HRH1TACR2EED
SCHEMBL7493204 0.91 SSTR5 (0.58) SSTR5KCNH2HRH1TACR2EED

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