SCHEMBL7494571

SCHEMBL7494571

CN(CC(CCN1CCC(Nc2nc3ccccc3n2Cc2ccncc2)CC1)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.51
TACR2 P21452 14/20 0.50
SSTR5 P35346 3/20 0.49
NR4A2 P43354 1/20 0.48
MEN1 O00255 1/20 0.46
MLNR O43193 1/20 0.46
CACNA1F O60840 1/20 0.46
EED O75530 1/20 0.46
USP2 O75604 1/20 0.46
ABCB11 O95342 1/20 0.46
EGFR P00533 1/20 0.46
LMNA P02545 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
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 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
SCHEMBL7500261 0.95 SSTR5 (0.56) KCNH2TACR2SSTR5NR4A2MEN1
SCHEMBL7503205 0.94 TACR2 (0.51) KCNH2TACR2SSTR5
SCHEMBL7495072 0.94 KCNH2 (0.54) KCNH2TACR2SSTR5MEN1MLNR
SCHEMBL7494271 0.92 TACR2 (0.62) TACR2
SCHEMBL7498099 0.92 SSTR5 (0.48) KCNH2TACR2SSTR5NR4A2MEN1
SCHEMBL7496879 0.92 SSTR5 (0.61) KCNH2TACR2SSTR5NR4A2MEN1
SCHEMBL7495400 0.91 SSTR5 (0.48) KCNH2TACR2SSTR5NR4A2MEN1
SCHEMBL7491488 0.91 SSTR5 (0.61) KCNH2TACR2SSTR5NR4A2MEN1
SCHEMBL7490246 0.90 TACR2 (0.48) KCNH2TACR2SSTR5HRH1
SCHEMBL7499033 0.89 KCNH2 (0.47) KCNH2TACR2SSTR5NR4A2MEN1

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