SCHEMBL7498575

SCHEMBL7498575

C=CCn1c(NC2CCN(CCC(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)c3cccc(Cl)c3)CC2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 16/20 0.43
CCR5 P51681 2/20 0.43
KCNH2 Q12809 1/20 0.41
SSTR5 P35346 1/20 0.40
TACR1 P25103 1/20 0.39
TACR3 P29371 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
SCHEMBL7496631 0.94 KCNH2 (0.44) TACR2CCR5KCNH2SSTR5TACR1
SCHEMBL7500026 0.93 TACR2 (0.52) TACR2
SCHEMBL7489899 0.91 TACR2 (0.47) TACR2CCR5
SCHEMBL7492009 0.91 TACR2 (0.52) TACR2
SCHEMBL7498208 0.91 KCNH2 (0.49) TACR2CCR5KCNH2SSTR5TACR1
SCHEMBL7497827 0.90 KCNH2 (0.49) TACR2CCR5KCNH2SSTR5
SCHEMBL7492486 0.90 CCR5 (0.44) TACR2CCR5KCNH2SSTR5
SCHEMBL7497618 0.90 HRH1 (0.45) TACR2CCR5KCNH2SSTR5
SCHEMBL7492244 0.90 SSTR5 (0.47) TACR2KCNH2SSTR5TACR1
SCHEMBL7497976 0.90 SSTR5 (0.46) TACR2CCR5KCNH2SSTR5TACR1

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