SCHEMBL5792392

SCHEMBL5792392

CC(C)c1nc2ccc(Br)cc2c(=O)n1CC1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.51
FEN1 P39748 1/20 0.48
BRD4 O60885 1/20 0.43
CACNA2D1 P54289 6/20 0.41
GHSR Q92847 3/20 0.41
KCNH2 Q12809 1/20 0.41
CHEK2 O96017 1/20 0.41
TRPV3 Q8NET8 1/20 0.41
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
CYP2C9 P11712 1/20 0.40
OPRM1 P35372 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
SCHEMBL5819554 0.89 FEN1 (0.50) CYP2D6FEN1BRD4GHSRKCNH2
SCHEMBL21033691 0.89 FEN1 (0.50) CYP2D6FEN1BRD4GHSRKCNH2
SCHEMBL5793560 0.89 CYP2D6 (0.56) CYP2D6BRD4CACNA2D1GHSRKCNH2
SCHEMBL5793556 0.89 CYP2D6 (0.56) CYP2D6BRD4CACNA2D1GHSRKCNH2
SCHEMBL5792111 0.89 CYP2D6 (0.56) CYP2D6BRD4CACNA2D1GHSRKCNH2
SCHEMBL5791736 0.87 FEN1 (0.49) FEN1BRD4CHEK2FPR3FPR2
SCHEMBL5794303 0.86 CYP2D6 (0.72) CYP2D6FEN1GHSRKCNH2CHEK2
SCHEMBL20528749 0.85 GHSR (0.55) CYP2D6FEN1BRD4GHSRKCNH2
SCHEMBL5792037 0.85 GHSR (0.55) CYP2D6FEN1BRD4GHSRKCNH2
SCHEMBL21632618 0.84 GHSR (0.50) CYP2D6FEN1BRD4GHSRKCNH2

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-2006012577-A2 QUINAZOLINONE DERIVATIVES USEFUL FOR THE REGULATION OF GLUCOSE HOMEOSTASIS AND FOOD INTAKE BAYER PHARMACEUTICALS CORPORATION (US) 2006-02-02 WO disclosed