SCHEMBL902783

SCHEMBL902783

COc1ncc(-c2ccc3[nH]c(-c4ccc(-c5ccc(C6CCCCC6)cc5)nc4)nc3c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 16/20 0.45
FTO Q9C0B1 1/20 0.39
KCNH2 Q12809 6/20 0.37
ADORA2A P29274 3/20 0.37
CLK1 P49759 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
FASN P49327 1/20 0.36
SOAT1 P35610 1/20 0.36
MAP4K1 Q92918 1/20 0.35

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
SCHEMBL902660 0.79 DGAT1 (0.44) DGAT1KCNH2ADORA2ACLK4SOAT1
SCHEMBL902799 0.75 MAP4K1 (0.49) DGAT1KCNH2ADORA2AFASNMAP4K1
SCHEMBL901744 0.73 DGAT1 (0.58) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL31289497 0.70 MEN1 (0.52)
SCHEMBL902489 0.70 ATR (0.47) DGAT1
SCHEMBL902382 0.70 DGAT1 (0.72) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL10189573 0.69 DGAT1 (0.55) DGAT1FTOSOAT1
SCHEMBL15245085 0.69 NPC1 (0.50) FTO
SCHEMBL31289470 0.69 MEN1 (0.54) DGAT1SOAT1
SCHEMBL902206 0.69 DGAT1 (0.61) DGAT1KCNH2SOAT1

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