SCHEMBL7464413

SCHEMBL7464413

NOC(=O)CCNC(=O)c1cccc(N2CCC(Nc3ncccn3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
KDM1A O60341 1/20 0.39
EPHX2 P34913 1/20 0.39
KDR P35968 2/20 0.39
DRD4 P21917 2/20 0.38
PDGFRB P09619 1/20 0.38
MAPT P10636 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
SCHEMBL382963 0.89 SMYD3 (0.43) CNR1CNR2KDM4EHTTHDAC3
SCHEMBL7466337 0.89 CNR1 (0.43) CNR1CNR2KDM4EHTTHDAC3
SCHEMBL6496334 0.88 CNR1 (0.43) CNR1CNR2KDM4EHTTHDAC3
SCHEMBL6503936 0.85 CNR1 (0.41) CNR1CNR2KDM4EHTTHDAC3
SCHEMBL382677 0.84 ITGB3 (0.43) KDM4EHTTDRD2DRD3EPHX2
SCHEMBL7467073 0.84 VCP (0.41) CNR1CNR2KDM4EHTTHDAC3
SCHEMBL7457979 0.84 SFRP1 (0.42) CNR1CNR2KDM4EHTTDRD2
SCHEMBL382100 0.83 ITGB3 (0.46) DRD2DRD3DRD4
SCHEMBL7468782 0.81 DRD4 (0.42) CNR1CNR2HTTDRD2DRD3
SCHEMBL7539445 0.81 CNR1 (0.44) CNR1CNR2KDM4EHTTDRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP claimed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP disclosed