SCHEMBL8788129

SCHEMBL8788129

O=C1C(NCCO)CCN1c1cccc(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.49
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
KCNH2 Q12809 3/20 0.48
ROCK1 Q13464 2/20 0.47
MCHR1 Q99705 6/20 0.46
NOTUM Q6P988 1/20 0.45
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CHRM4 P08173 2/20 0.41
HDAC6 Q9UBN7 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 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
SCHEMBL8788206 0.86 ROCK2 (0.51) ROCK2DRD2DRD3KCNH2ROCK1
SCHEMBL8787438 0.83 ROCK2 (0.48) ROCK2DRD2DRD3KCNH2ROCK1
SCHEMBL7608380 0.82 ROCK2 (0.53) ROCK2DRD2DRD3KCNH2ROCK1
SCHEMBL6507548 0.82 ROCK2 (0.53) ROCK2DRD2DRD3KCNH2ROCK1
SCHEMBL7604788 0.82 ROCK2 (0.53) ROCK2DRD2DRD3KCNH2ROCK1
SCHEMBL8789394 0.81 ROCK2 (0.52) ROCK2DRD2DRD3KCNH2ROCK1
SCHEMBL7608385 0.78 NOTUM (0.52) ROCK2DRD2DRD3KCNH2ROCK1
SCHEMBL7609591 0.78 NOTUM (0.52) ROCK2DRD2DRD3KCNH2ROCK1
SCHEMBL7604476 0.78 NOTUM (0.52) ROCK2DRD2DRD3KCNH2ROCK1
SCHEMBL8552408 0.78 MCHR1 (0.47) ROCK2DRD2DRD3KCNH2ROCK1

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-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed