SCHEMBL7501729

SCHEMBL7501729

CN(CC(CCN1CCC(Nc2nc3ccccc3n2Cc2ccccn2)CC1)c1cccnc1)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 16/20 0.46
KCNH2 Q12809 2/20 0.44
OPRD1 P41143 1/20 0.44
HRH1 P35367 1/20 0.42
SSTR5 P35346 1/20 0.40

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
SCHEMBL8392686 0.94 TACR2 (0.49) TACR2KCNH2HRH1SSTR5
SCHEMBL7490246 0.93 TACR2 (0.48) TACR2KCNH2HRH1SSTR5
SCHEMBL7500566 0.91 HRH1 (0.44) TACR2KCNH2OPRD1HRH1SSTR5
SCHEMBL7498745 0.90 SSTR5 (0.49) TACR2KCNH2OPRD1HRH1SSTR5
SCHEMBL7547390 0.90 TACR2 (0.52) TACR2
SCHEMBL7496899 0.90 HRH1 (0.46) TACR2KCNH2OPRD1HRH1SSTR5
SCHEMBL7498324 0.90 TACR2 (0.52) TACR2
SCHEMBL7495363 0.89 TACR2 (0.51) TACR2
SCHEMBL7498099 0.89 SSTR5 (0.48) TACR2KCNH2OPRD1HRH1SSTR5
SCHEMBL7493809 0.89 KCNH2 (0.51) TACR2KCNH2OPRD1HRH1SSTR5

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