SCHEMBL7502004

SCHEMBL7502004

CN(CC(CCN1CCC(Nc2nc3ccccc3n2Cc2ccoc2)CC1)c1ccc(F)c(F)c1)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 15/20 0.47
SSTR5 P35346 2/20 0.45
KCNH2 Q12809 3/20 0.43
NR4A2 P43354 1/20 0.43

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
SCHEMBL7495484 0.93 SSTR5 (0.52) TACR2SSTR5KCNH2NR4A2
SCHEMBL7499033 0.92 KCNH2 (0.47) TACR2SSTR5KCNH2NR4A2
SCHEMBL7494749 0.92 SSTR5 (0.45) TACR2SSTR5KCNH2NR4A2
SCHEMBL7497075 0.92 TACR2 (0.49) TACR2SSTR5KCNH2
SCHEMBL7498790 0.91 TACR2 (0.49) TACR2SSTR5KCNH2
SCHEMBL7496651 0.91 TACR2 (0.59) TACR2
SCHEMBL7501212 0.91 SSTR5 (0.56) TACR2SSTR5KCNH2NR4A2
SCHEMBL7497403 0.90 TACR2 (0.47) TACR2SSTR5KCNH2
SCHEMBL7496970 0.89 TACR2 (0.48) TACR2
SCHEMBL7489482 0.89 KCNH2 (0.51) TACR2SSTR5KCNH2

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