SCHEMBL382765

SCHEMBL382765

O=C(O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
NR4A1 P22736 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPY2R P49146 6/20 0.42
PARP1 P09874 2/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
HCAR3 P49019 1/20 0.40

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
SCHEMBL7653004 0.87 NPC1 (0.49) EPHX2DRD2DRD3KDM4EHDAC8
SCHEMBL382771 0.87 GAA (0.46) DRD2DRD3KDM4EPOLBGAA
SCHEMBL7468836 0.86 EPHX2 (0.41) EPHX2KDM4EGAAMEN1KMT2A
SCHEMBL6509087 0.85 TTR (0.50) EPHX2DRD2DRD3KDM4EPOLB
SCHEMBL383021 0.84 DRD2 (0.49) DRD2DRD3KDM4EPOLBGAA
SCHEMBL27512045 0.82 EPHX2 (0.58) EPHX2POLBMEN1KMT2ACNR1
SCHEMBL383016 0.81 DRD2 (0.55) DRD2DRD3KDM4EGAACNR1
SCHEMBL6501602 0.81 KDM4E (0.56) DRD2DRD3KDM4EGAAHSD17B10
SCHEMBL7468832 0.80 TDP1 (0.39) EPHX2KDM4EPOLBGAAHSD17B10
SCHEMBL7659555 0.78 AOC3 (0.53) KDM4EGAAMEN1KMT2A

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 4 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
CN-1140511-C As integrin alphavβ3Aminopiperidine derivatives as antagonists �����Ƹ���ʽ���� 2004-03-03 CN 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