SCHEMBL7498652

SCHEMBL7498652

C=CCn1c(NC2CCN(CCC(CN(C)C(=O)c3ccccc3)c3ccc(F)cc3)CC2)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 15/20 0.48
SSTR5 P35346 3/20 0.48
KCNH2 Q12809 3/20 0.46
NR4A2 P43354 1/20 0.46
EED O75530 2/20 0.44
MEN1 O00255 1/20 0.44
MLNR O43193 1/20 0.44
CACNA1F O60840 1/20 0.44
USP2 O75604 1/20 0.44
ABCB11 O95342 1/20 0.44
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.44
HLA-A P04439 1/20 0.44
ERBB2 P04626 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 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
SCHEMBL7499175 0.95 TACR2 (0.49) TACR2KCNH2MEN1KMT2A
SCHEMBL7496534 0.92 KCNH2 (0.52) TACR2SSTR5KCNH2EEDMEN1
SCHEMBL7492244 0.90 SSTR5 (0.47) TACR2SSTR5KCNH2NR4A2EED
SCHEMBL7491488 0.90 SSTR5 (0.61) TACR2SSTR5KCNH2NR4A2EED
SCHEMBL7494196 0.90 TACR2 (0.53) TACR2SSTR5
SCHEMBL7498935 0.90 TACR2 (0.64) TACR2
SCHEMBL7495866 0.89 TACR2 (0.49) TACR2SSTR5KCNH2NR4A2EED
SCHEMBL7502578 0.89 KCNH2 (0.50) TACR2SSTR5KCNH2NR4A2
SCHEMBL7496879 0.89 SSTR5 (0.61) TACR2SSTR5KCNH2NR4A2EED
SCHEMBL7492009 0.88 TACR2 (0.52) TACR2

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