SCHEMBL8788607

SCHEMBL8788607

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
KCNH2 Q12809 3/20 0.50
NOTUM Q6P988 1/20 0.49
MCHR1 Q99705 7/20 0.48
ROCK2 O75116 4/20 0.46
ROCK1 Q13464 2/20 0.45
DHFR P00374 1/20 0.41
OPRL1 P41146 1/20 0.41
LIPE Q05469 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
FFAR4 Q5NUL3 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
SCHEMBL7604476 0.84 NOTUM (0.52) DRD2DRD3KCNH2NOTUMMCHR1
SCHEMBL7608385 0.84 NOTUM (0.52) DRD2DRD3KCNH2NOTUMMCHR1
SCHEMBL8554695 0.84 DRD2 (0.50) DRD2DRD3KCNH2NOTUMMCHR1
SCHEMBL7609591 0.84 NOTUM (0.52) DRD2DRD3KCNH2NOTUMMCHR1
SCHEMBL8787922 0.84 DRD2 (0.50) DRD2DRD3KCNH2NOTUMMCHR1
SCHEMBL8568624 0.82 ROCK2 (0.56) DRD2DRD3KCNH2MCHR1ROCK2
SCHEMBL8568619 0.82 ROCK2 (0.56) DRD2DRD3KCNH2MCHR1ROCK2
SCHEMBL9273396 0.82 NOTUM (0.59) DRD2DRD3KCNH2NOTUMMCHR1
SCHEMBL965009 0.81 CA12 (0.54) DRD2DRD3NOTUM
SCHEMBL8563716 0.81 CA12 (0.54) DRD2DRD3NOTUM

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