SCHEMBL5819554

SCHEMBL5819554

Cc1nc2ccc(Br)cc2c(=O)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.50
GHSR Q92847 6/20 0.48
KCNH2 Q12809 4/20 0.48
CYP2D6 P10635 2/20 0.48
BRD4 O60885 1/20 0.46
CHEK2 O96017 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 1/20 0.41
BACE1 P56817 2/20 0.41
ACKR3 P25106 1/20 0.41

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
SCHEMBL21033691 1.00 FEN1 (0.50) FEN1GHSRKCNH2CYP2D6BRD4
SCHEMBL5791736 0.90 FEN1 (0.49) FEN1BRD4CHEK2FPR3FPR2
SCHEMBL5792392 0.89 CYP2D6 (0.51) FEN1GHSRKCNH2CYP2D6BRD4
SCHEMBL5815290 0.88 GHSR (0.53) GHSRKCNH2CYP2D6BRD4MAPT
SCHEMBL5815296 0.88 GHSR (0.53) GHSRKCNH2CYP2D6BRD4MAPT
SCHEMBL5792037 0.88 GHSR (0.55) FEN1GHSRKCNH2CYP2D6BRD4
SCHEMBL20528749 0.88 GHSR (0.55) FEN1GHSRKCNH2CYP2D6BRD4
SCHEMBL21632618 0.86 GHSR (0.50) FEN1GHSRKCNH2CYP2D6BRD4
SCHEMBL21632617 0.86 GHSR (0.50) FEN1GHSRKCNH2CYP2D6BRD4
SCHEMBL5792698 0.86 GHSR (0.48) FEN1GHSRKCNH2CYP2D6BRD4

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