SCHEMBL382455

SCHEMBL382455

O=C(O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.42
DRD3 P35462 7/20 0.42
KMT2A Q03164 2/20 0.41
MAPK8 P45983 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
EPHX2 P34913 1/20 0.39
TTR P02766 1/20 0.38
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
LPL P06858 1/20 0.36
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL382601 0.87 OPRK1 (0.41) DRD2DRD3KMT2AKDM4E
SCHEMBL7469473 0.86 MAPK8 (0.39) DRD2DRD3KMT2AMAPK8KDM4E
SCHEMBL381824 0.82 ITGB3 (0.38) DRD2DRD3KMT2AEPHX2MEN1
SCHEMBL381826 0.82 DRD2 (0.35) DRD2DRD3KMT2AEPHX2MEN1
SCHEMBL382771 0.80 GAA (0.46) DRD2DRD3KMT2AKDM4EGAA
SCHEMBL381825 0.79 EPHX2 (0.36) DRD2DRD3KMT2AKDM4EEPHX2
SCHEMBL383200 0.79 DRD2 (0.34) DRD2DRD3EPHX2
SCHEMBL383201 0.78 ITGB3 (0.40) DRD2DRD3EPHX2
SCHEMBL7469467 0.78 MAPK8 (0.35) KMT2AMAPK8KDM4EGAAASPH
SCHEMBL6509087 0.78 TTR (0.50) DRD2DRD3KDM4EGAAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed