SCHEMBL7498745

SCHEMBL7498745

CN(CC(CCN1CCC(Nc2nc3ccccc3n2Cc2ccccn2)CC1)c1ccc(F)cc1)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.49
TACR2 P21452 10/20 0.48
KCNH2 Q12809 3/20 0.48
NR4A2 P43354 1/20 0.48
EED O75530 2/20 0.46
HRH1 P35367 2/20 0.46
HRH4 Q9H3N8 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
OPRM1 P35372 2/20 0.46
MEN1 O00255 1/20 0.46
MLNR O43193 1/20 0.46
CACNA1F O60840 1/20 0.46
USP2 O75604 1/20 0.46
ABCB11 O95342 1/20 0.46
EGFR P00533 1/20 0.46
HLA-A P04439 1/20 0.46
ERBB2 P04626 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL8392686 0.95 TACR2 (0.49) SSTR5TACR2KCNH2HRH1
SCHEMBL7547390 0.93 TACR2 (0.52) TACR2
SCHEMBL7490246 0.93 TACR2 (0.48) SSTR5TACR2KCNH2HRH1
SCHEMBL7500011 0.93 TACR2 (0.50) TACR2
SCHEMBL7493809 0.92 KCNH2 (0.51) SSTR5TACR2KCNH2EEDHRH1
SCHEMBL7495363 0.91 TACR2 (0.51) TACR2
SCHEMBL7491488 0.91 SSTR5 (0.61) SSTR5TACR2KCNH2NR4A2EED
SCHEMBL7502476 0.91 HRH1 (0.49) SSTR5TACR2KCNH2NR4A2EED
SCHEMBL7496899 0.90 HRH1 (0.46) SSTR5TACR2KCNH2NR4A2EED
SCHEMBL7500482 0.90 TACR2 (0.62) 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 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