SCHEMBL3032146

SCHEMBL3032146

O=C(O)c1cc(N2CCN(C(=O)c3nc(-c4ccc(F)cc4)[nH]c3-c3ccc4c(c3)OCCO4)CC2)cc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 12/20 0.67
MT-CO1 P00395 2/20 0.56
CNR2 P34972 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
PIN1 Q13526 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL2357628 0.82 CCKAR (0.68) CCKARMT-CO1CNR2
SCHEMBL502229 0.80 CCKAR (1.00) CCKARMT-CO1CNR2
SCHEMBL12477368 0.75 CCKAR (0.68) CCKAR
SCHEMBL3137597 0.74 CCKAR (0.66) CCKARMT-CO1CNR2
SCHEMBL2152210 0.73 CCKAR (1.00) CCKARMT-CO1CNR2
SCHEMBL2152958 0.72 CCKAR (0.84) CCKAR
SCHEMBL2913085 0.71 CCKAR (0.79) CCKARMT-CO1CNR2
SCHEMBL2657553 0.71 CCKAR (0.67) CCKARMT-CO1CNR2
SCHEMBL12510286 0.70 CCKAR (0.83) CCKAR
SCHEMBL2913088 0.69 CCKAR (0.75) CCKAR

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-3924343-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2021-12-22 EP disclosed
WO-2010036613-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-01 WO disclosed