SCHEMBL7494607

SCHEMBL7494607

CCOCCn1c(NC2CCN(CCC(CN(C)C(=O)c3cc(C4C=NN=N4)ccc3OC)c3ccc(F)cc3)CC2)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.40
SSTR5 P35346 5/20 0.40
HRH1 P35367 4/20 0.40
EED O75530 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
HRH4 Q9H3N8 2/20 0.40
TACR2 P21452 2/20 0.40
MEN1 O00255 1/20 0.40
MLNR O43193 1/20 0.40
CACNA1F O60840 1/20 0.40
USP2 O75604 1/20 0.40
ABCB11 O95342 1/20 0.40
EGFR P00533 1/20 0.40
HLA-A P04439 1/20 0.40
ERBB2 P04626 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40

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
SCHEMBL7495705 0.95 KCNH2 (0.39) KCNH2SSTR5HRH1EEDLMNA
SCHEMBL7498576 0.94 KCNH2 (0.39) KCNH2SSTR5HRH1EEDLMNA
SCHEMBL7503130 0.93 KCNH2 (0.45) KCNH2SSTR5HRH1EEDLMNA
SCHEMBL7496291 0.92 TACR2 (0.45) TACR2TACR1
SCHEMBL7494496 0.92 SSTR5 (0.49) KCNH2SSTR5HRH1EEDLMNA
SCHEMBL7496655 0.92 KCNH2 (0.40) KCNH2SSTR5HRH1EEDLMNA
SCHEMBL7496732 0.91 KCNH2 (0.39) KCNH2SSTR5HRH1EEDLMNA
SCHEMBL7501677 0.91 KCNH2 (0.40) KCNH2SSTR5HRH1EEDLMNA
SCHEMBL7494638 0.89 KCNH2 (0.41) KCNH2SSTR5HRH1EEDLMNA
SCHEMBL7499878 0.89 SSTR5 (0.43) KCNH2SSTR5HRH1EEDLMNA

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