SCHEMBL989410

SCHEMBL989410

O=C(O)[C@H]1CC[C@H](CNCc2cc(Cl)cc3ccn(Cc4csc(-c5ccccc5)n4)c23)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
ACKR3 P25106 1/20 0.43
VCP P55072 7/20 0.42
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KLK1 P06870 5/20 0.41
KLKB1 P03952 5/20 0.40
DNM1L O00429 1/20 0.37

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
SCHEMBL27855513 0.86 KLK1 (0.46) DRD2ACKR3VCPHTR2AHRH1
SCHEMBL985984 0.86 KLK1 (0.46) DRD2ACKR3VCPHTR2AHRH1
SCHEMBL12584712 0.79 KLK1 (0.45) DRD2DRD4ACKR3HTR2AHRH1
SCHEMBL12585687 0.77 KLK1 (0.50) DRD2ACKR3HTR2AHRH1KLK1
SCHEMBL985985 0.77 KLK1 (0.43) DRD2DRD4DRD3ACKR3HTR2A
SCHEMBL12584717 0.77 KLK1 (0.47) DRD2DRD4DRD3KLK1KLKB1
SCHEMBL988224 0.76 DRD2 (0.44) DRD2ACKR3HTR2AHRH1KLK1
SCHEMBL985877 0.72 KLK1 (0.58) KLK1KLKB1DNM1L
SCHEMBL12585769 0.71 VCP (0.43) VCP
SCHEMBL12584698 0.71 KLK1 (0.47) KLK1KLKB1DNM1L

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
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 EP disclosed