SCHEMBL902158

SCHEMBL902158

N#Cc1ccc2nc(-c3c(F)cc(C4=CC=C(C5CCC(CC(=O)O)CC5)CC4)cc3F)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 14/20 0.50
KCNH2 Q12809 6/20 0.50
ADORA2A P29274 3/20 0.50
SOAT1 P35610 3/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.41
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
PIN1 Q13526 1/20 0.38
FASN P49327 1/20 0.36

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
SCHEMBL902149 0.77 DGAT1 (0.62) DGAT1KCNH2ADORA2ASOAT1PTGDR2
SCHEMBL902748 0.77 DGAT1 (0.55) DGAT1KCNH2ADORA2ASOAT1PTGDR2
SCHEMBL902020 0.76 DGAT1 (0.59) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL901002 0.76 DGAT1 (0.74) DGAT1KCNH2ADORA2ASOAT1PTGDR2
SCHEMBL901150 0.76 DGAT1 (0.53) DGAT1KCNH2ADORA2ASOAT1FASN
SCHEMBL901617 0.75 DGAT1 (0.50) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL902764 0.73 DGAT1 (0.42) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL902559 0.72 DGAT1 (0.61) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL14971589 0.71 DGAT1 (0.65) DGAT1KCNH2ADORA2ASOAT1PTGDR2
SCHEMBL902702 0.70 DGAT1 (0.47) DGAT1KCNH2ADORA2ASOAT1

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