SCHEMBL901616

SCHEMBL901616

COC(=O)CC1CCC(c2ccc(C3=CC=C(c4nc5cc(N)ccc5[nH]4)CC3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 19/20 0.46
SOAT1 P35610 5/20 0.44
FAAH O00519 1/20 0.35
CHRM2 P08172 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CHEK2 O96017 1/20 0.34

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
SCHEMBL10188661 0.90 DGAT1 (0.46) DGAT1SOAT1
SCHEMBL902025 0.79 DGAT1 (0.43) DGAT1SOAT1
SCHEMBL10189104 0.77 DGAT1 (0.52) DGAT1SOAT1
SCHEMBL10189565 0.77 DGAT1 (0.46) DGAT1SOAT1
SCHEMBL901150 0.76 DGAT1 (0.53) DGAT1SOAT1
SCHEMBL902705 0.74 DGAT1 (0.55) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL901744 0.74 DGAT1 (0.58) DGAT1SOAT1
SCHEMBL10189188 0.74 DGAT1 (0.56) DGAT1SOAT1CHEK2
SCHEMBL31289521 0.74 MEN1 (0.56) DGAT1SOAT1CHEK2
SCHEMBL1399745 0.74 DGAT1 (0.51) DGAT1SOAT1FAAHCHRM2DGAT2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012044567-A2 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed