SCHEMBL8459362

SCHEMBL8459362

CCOc1cc(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4[nH]3)CC2)c2ccc(OC)cc2)cc(OCC)c1OCC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
TACR2 P21452 16/20 0.51
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7498657 0.92 KCNH2 (0.54) KCNH2TACR2
SCHEMBL7496478 0.89 TACR2 (0.59) KCNH2TACR2
SCHEMBL7500102 0.87 TACR2 (0.53) KCNH2TACR2
SCHEMBL7496523 0.86 TACR2 (0.54) KCNH2TACR2
SCHEMBL7493414 0.86 TACR2 (0.51) KCNH2TACR2
SCHEMBL7491913 0.84 TACR2 (0.52) KCNH2TACR2
SCHEMBL7496327 0.84 TACR2 (0.64) TACR2
SCHEMBL7494683 0.82 TACR2 (0.62) KCNH2TACR2
SCHEMBL7494874 0.82 TACR2 (0.53) KCNH2TACR2
SCHEMBL7499916 0.81 TACR2 (0.60) 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-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