SCHEMBL7495484

SCHEMBL7495484

CN(CC(CCN1CCC(Nc2nc3ccccc3n2Cc2ccoc2)CC1)c1ccc(F)cc1)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.52
KCNH2 Q12809 7/20 0.50
NR4A2 P43354 2/20 0.50
TACR2 P21452 5/20 0.48
EED O75530 2/20 0.48
HRH1 P35367 2/20 0.48
HRH4 Q9H3N8 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
MLNR O43193 1/20 0.48
CACNA1F O60840 1/20 0.48
USP2 O75604 1/20 0.48
ABCB11 O95342 1/20 0.48
EGFR P00533 1/20 0.48
HLA-A P04439 1/20 0.48
ERBB2 P04626 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
LCK P06239 1/20 0.48

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
SCHEMBL7499033 0.95 KCNH2 (0.47) SSTR5KCNH2NR4A2TACR2EED
SCHEMBL7497075 0.93 TACR2 (0.49) SSTR5KCNH2TACR2
SCHEMBL7502004 0.93 TACR2 (0.47) SSTR5KCNH2NR4A2TACR2
SCHEMBL7491488 0.93 SSTR5 (0.61) SSTR5KCNH2NR4A2TACR2EED
SCHEMBL7489482 0.92 KCNH2 (0.51) SSTR5KCNH2TACR2EEDHRH1
SCHEMBL7496879 0.91 SSTR5 (0.61) SSTR5KCNH2NR4A2TACR2EED
SCHEMBL7491773 0.91 SSTR5 (0.51) SSTR5KCNH2NR4A2TACR2EED
SCHEMBL7496651 0.90 TACR2 (0.59) TACR2
SCHEMBL7500261 0.90 SSTR5 (0.56) SSTR5KCNH2NR4A2TACR2EED
SCHEMBL7498538 0.90 SSTR5 (0.58) SSTR5KCNH2NR4A2TACR2EED

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-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