SCHEMBL8858741

SCHEMBL8858741

CC(C)(C)OC(=O)N1CCc2nc(C3CCC(C(=O)N[C@H]4CC[C@H](C(=O)O)CC4)CC3)sc2CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.41
EPHX2 P34913 2/20 0.41
POLB P06746 1/20 0.38
EPHX1 P07099 1/20 0.38
STS P08842 5/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
GRAMD1A Q96CP6 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
JAK1 P23458 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN3A Q9NY46 1/20 0.35

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
SCHEMBL8858593 0.93 SCN4A (0.41) SCN4AEPHX2POLBEPHX1STS
SCHEMBL8858707 0.92 ADORA1 (0.39) SCN4ASTSGRAMD1APTPN2PTPN1
SCHEMBL31164700 0.79 GRAMD1A (0.50) SCN4AGRAMD1ASCN5ASCN3A
SCHEMBL8858740 0.78 HDAC4 (0.49) POLBDRD3GRAMD1APTPN2PTPN1
SCHEMBL8858626 0.77 POLB (0.43) SCN4APOLBDRD2DRD3JAK1
SCHEMBL8858632 0.77 POLB (0.43) SCN4APOLBDRD2DRD3JAK1
SCHEMBL8858621 0.77 POLB (0.43) SCN4APOLBDRD2DRD3JAK1
SCHEMBL8858620 0.77 POLB (0.43) SCN4APOLBDRD2DRD3JAK1
SCHEMBL8858627 0.77 POLB (0.43) SCN4APOLBDRD2DRD3JAK1
SCHEMBL8858795 0.76 F10 (0.39) POLBDRD2DRD3

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
US-5607944-A ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-03-04 US disclosed
EP-0639575-A1 Bicyclic heterocycles, medicaments comprising these compounds and processes for their production Dr. Karl Thomae GmbH (DE) 1995-02-22 EP disclosed