SCHEMBL5794048

SCHEMBL5794048

CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cc(Br)ccc2NC(=O)C(F)(F)F)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.51
FPR2 P25090 2/20 0.46
KAT7 O95251 1/20 0.46
KAT8 Q9H7Z6 1/20 0.46
FPR3 P25089 1/20 0.46
SCN9A Q15858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
CYP2C9 P11712 1/20 0.42
KDM1A O60341 1/20 0.42
USP30 Q70CQ3 2/20 0.42
KMT2A Q03164 1/20 0.42
KAT6A Q92794 1/20 0.41
KAT5 Q92993 1/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
GLS O94925 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
SCHEMBL20528901 0.88 ACKR3 (0.52) ACKR3FPR2KAT7KAT8FPR3
SCHEMBL20528900 0.88 ACKR3 (0.52) ACKR3FPR2KAT7KAT8FPR3
SCHEMBL20528741 0.87 USP30 (0.48) ACKR3FPR2KAT7KAT8FPR3
SCHEMBL20528743 0.87 USP30 (0.48) ACKR3FPR2KAT7KAT8FPR3
SCHEMBL20528789 0.87 ACKR3 (0.53) ACKR3FPR2KAT7KAT8FPR3
SCHEMBL20528788 0.87 ACKR3 (0.53) ACKR3FPR2KAT7KAT8FPR3
SCHEMBL5795066 0.85 ACKR3 (0.46) ACKR3FPR2KAT7KAT8FPR3
SCHEMBL5791116 0.85 ACKR3 (0.55) ACKR3FPR2KAT7KAT8FPR3
SCHEMBL5793066 0.82 DRD2 (0.41) KMT2ADRD2DRD4DRD3
SCHEMBL14206765 0.79 ACKR3 (0.54) ACKR3KAT7KAT8SCN9AKDM4E

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