SCHEMBL5791116

SCHEMBL5791116

CC(C)(C)OC(=O)N1CCCC(CNC(=O)c2cc(Br)ccc2N)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.55
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
FPR3 P25089 1/20 0.47
FPR2 P25090 1/20 0.47
CYP2C9 P11712 1/20 0.45
KDM1A O60341 1/20 0.45
SCN9A Q15858 1/20 0.45
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
DRD2 P14416 3/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
USP30 Q70CQ3 2/20 0.44
KAT7 O95251 1/20 0.43
KAT8 Q9H7Z6 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
METTL3 Q86U44 1/20 0.43
CTSD P07339 1/20 0.43

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
SCHEMBL5790711 0.85 ACKR3 (0.54) ACKR3KDM4EPKMCYP2C9KDM1A
SCHEMBL5792817 0.85 DRD2 (0.46) KDM4EDRD2DRD4DRD3KMT2A
SCHEMBL5794048 0.85 ACKR3 (0.51) ACKR3KDM4EPKMFPR3FPR2
SCHEMBL20528788 0.82 ACKR3 (0.53) ACKR3KDM4EPKMFPR3FPR2
SCHEMBL20528789 0.82 ACKR3 (0.53) ACKR3KDM4EPKMFPR3FPR2
SCHEMBL20528900 0.81 ACKR3 (0.52) ACKR3KDM4EPKMFPR3FPR2
SCHEMBL20528901 0.81 ACKR3 (0.52) ACKR3KDM4EPKMFPR3FPR2
SCHEMBL20528743 0.81 USP30 (0.48) ACKR3KDM4EPKMFPR3FPR2
SCHEMBL20528741 0.81 USP30 (0.48) ACKR3KDM4EPKMFPR3FPR2
SCHEMBL13056746 0.80 ACKR3 (0.60) ACKR3KDM4EPKMCYP2C9KDM1A

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