SCHEMBL7497640

SCHEMBL7497640

CCCOCCn1c(NC2CCN(CCC(CN(C)C(=O)c3ccccc3)c3ccccc3)CC2)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 14/20 0.48
KCNH2 Q12809 4/20 0.46
CCR5 P51681 2/20 0.44

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
SCHEMBL7497142 0.96 TACR2 (0.50) TACR2KCNH2
SCHEMBL7495978 0.95 TACR2 (0.47) TACR2KCNH2
SCHEMBL7500156 0.94 KCNH2 (0.53) TACR2KCNH2
SCHEMBL7500662 0.93 TACR2 (0.50) TACR2
SCHEMBL7495763 0.92 TACR2 (0.60) TACR2
SCHEMBL7492700 0.91 TACR2 (0.48) TACR2KCNH2
SCHEMBL7494080 0.91 KCNH2 (0.45) TACR2KCNH2CCR5
SCHEMBL7502368 0.91 TACR2 (0.46) TACR2KCNH2CCR5
SCHEMBL7498625 0.91 TACR2 (0.52) TACR2
SCHEMBL7495879 0.91 TACR2 (0.49) TACR2KCNH2

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