SCHEMBL7495149

SCHEMBL7495149

COc1cccc(C(CCN2CCC(Nc3nc4ccccc4n3CCOCC(F)(F)F)CC2)CN(C)C(=O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.46
TACR2 P21452 16/20 0.45
MEN1 O00255 1/20 0.41
MLNR O43193 1/20 0.41
CACNA1F O60840 1/20 0.41
EED O75530 1/20 0.41
USP2 O75604 1/20 0.41
ABCB11 O95342 1/20 0.41
EGFR P00533 1/20 0.41
LMNA P02545 1/20 0.41
HLA-A P04439 1/20 0.41
ERBB2 P04626 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
ABCB1 P08183 1/20 0.41
ADRB1 P08588 1/20 0.41

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
SCHEMBL7490395 0.94 KCNH2 (0.44) KCNH2TACR2MEN1MLNRCACNA1F
SCHEMBL7494089 0.93 KCNH2 (0.51) KCNH2TACR2MEN1MLNRCACNA1F
SCHEMBL7498552 0.93 KCNH2 (0.49) KCNH2TACR2
SCHEMBL7502368 0.93 TACR2 (0.46) KCNH2TACR2
SCHEMBL7495954 0.92 TACR2 (0.48) TACR2
SCHEMBL7504134 0.91 TACR2 (0.47) KCNH2TACR2
SCHEMBL7498024 0.90 TACR2 (0.47) TACR2
SCHEMBL7488361 0.89 TACR2 (0.58) TACR2TACR1
SCHEMBL7493862 0.89 TACR2 (0.46) KCNH2TACR2MEN1MLNRCACNA1F
SCHEMBL7496857 0.89 KCNH2 (0.43) KCNH2TACR2MEN1MLNRCACNA1F

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 4 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
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