SCHEMBL5795066

SCHEMBL5795066

CC(C)(C)OC(=O)N1CCCC(CNC(=O)c2cc(Br)ccc2NC(=O)c2ccc(OC(F)F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.46
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
KAT7 O95251 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
SCN9A Q15858 1/20 0.39
HTT P42858 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C9 P11712 1/20 0.38
BACE1 P56817 1/20 0.38
CHEK2 O96017 1/20 0.38
KDM1A O60341 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL5794048 0.85 ACKR3 (0.51) ACKR3KMT2AKDM4EPKMFPR3
SCHEMBL20528901 0.83 ACKR3 (0.52) ACKR3KMT2AKDM4EPKMFPR3
SCHEMBL20528900 0.83 ACKR3 (0.52) ACKR3KMT2AKDM4EPKMFPR3
SCHEMBL20528743 0.82 USP30 (0.48) ACKR3KMT2AKDM4EPKMFPR3
SCHEMBL20528741 0.82 USP30 (0.48) ACKR3KMT2AKDM4EPKMFPR3
SCHEMBL20528788 0.82 ACKR3 (0.53) ACKR3KMT2AKDM4EPKMFPR3
SCHEMBL20528789 0.82 ACKR3 (0.53) ACKR3KMT2AKDM4EPKMFPR3
SCHEMBL5791116 0.79 ACKR3 (0.55) ACKR3KMT2AKDM4EPKMFPR3
SCHEMBL14731327 0.75 KDM4E (0.69) ACKR3KMT2AKDM4EPKMFPR3
SCHEMBL5791739 0.74 DRD2 (0.42) KMT2AKDM4EALDH1A1MEN1

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