SCHEMBL7496899

SCHEMBL7496899

CN(CC(CCN1CCC(Nc2nc3ccccc3n2Cc2ccccn2)CC1)c1ccccn1)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.46
TACR2 P21452 10/20 0.46
KCNH2 Q12809 7/20 0.44
SSTR5 P35346 3/20 0.43
NR4A2 P43354 1/20 0.41
OPRD1 P41143 2/20 0.40
MEN1 O00255 1/20 0.40
MLNR O43193 1/20 0.40
CACNA1F O60840 1/20 0.40
EED O75530 1/20 0.40
USP2 O75604 1/20 0.40
ABCB11 O95342 1/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 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
SCHEMBL8392686 0.94 TACR2 (0.49) HRH1TACR2KCNH2SSTR5
SCHEMBL7490246 0.92 TACR2 (0.48) HRH1TACR2KCNH2SSTR5
SCHEMBL7547390 0.90 TACR2 (0.52) TACR2
SCHEMBL7498745 0.90 SSTR5 (0.49) HRH1TACR2KCNH2SSTR5NR4A2
SCHEMBL7493352 0.90 HRH1 (0.46) HRH1TACR2KCNH2SSTR5OPRD1
SCHEMBL7495363 0.90 TACR2 (0.51) TACR2
SCHEMBL7501729 0.90 TACR2 (0.46) HRH1TACR2KCNH2SSTR5OPRD1
SCHEMBL7493809 0.89 KCNH2 (0.51) HRH1TACR2KCNH2SSTR5OPRD1
SCHEMBL7492960 0.89 HRH1 (0.45) HRH1TACR2KCNH2
SCHEMBL7498324 0.89 TACR2 (0.52) 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 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