SCHEMBL27769433

SCHEMBL27769433

CC(=O)OC1CCC(c2ccc(-c3cc(OCc4ccccn4)n[nH]3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.38
CCNE1 P24864 6/20 0.38
CDK2 P24941 6/20 0.38
GSK3B P49841 2/20 0.38
AURKB Q96GD4 2/20 0.36
INCENP Q9NQS7 2/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
NR3C1 P04150 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
SCHEMBL27769398 0.89 CCNE1 (0.39) SYKCCNE1CDK2GSK3BAURKB
SCHEMBL4472648 0.84 DGAT1 (0.43)
SCHEMBL14813144 0.84 DGAT1 (0.43)
SCHEMBL27769397 0.84 DGAT1 (0.44) SYKCCNE1CDK2GSK3BGABRA1
SCHEMBL27790774 0.82 ACACB (0.36)
SCHEMBL27790769 0.78 PDE4B (0.37)
SCHEMBL27790886 0.77 TSHR (0.38) CCNE1CDK2
SCHEMBL4487832 0.72 DGAT1 (0.45)
SCHEMBL27769636 0.70 PDE4B (0.38)
SCHEMBL4943216 0.70 DGAT1 (0.44)

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
CN-101636155-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LAB 2010-01-27 CN claimed
CN-101636155-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LAB 2010-01-27 CN disclosed