SCHEMBL8103660

SCHEMBL8103660

O=C1C(O)SCN1c1cccc(OC(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
KCNH2 Q12809 3/20 0.44
OPRL1 P41146 1/20 0.40
MCHR1 Q99705 1/20 0.40
MLYCD O95822 1/20 0.38
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
DHFR P00374 1/20 0.38
METAP2 P50579 1/20 0.38
TOP2A P11388 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CHRM4 P08173 1/20 0.37
HSD11B1 P28845 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL8090575 0.89 PIM1 (0.41) NOTUMDRD2DRD3KCNH2MCHR1
SCHEMBL8552157 0.84 DRD2 (0.44) NOTUMDRD2DRD3KCNH2OPRL1
SCHEMBL8089666 0.84 DRD2 (0.44) NOTUMDRD2DRD3KCNH2OPRL1
SCHEMBL8089994 0.82 MGLL (0.45) DRD2DRD3ROCK2
SCHEMBL6507979 0.82 DRD2 (0.43) NOTUMDRD2DRD3KCNH2OPRL1
SCHEMBL5827269 0.81 MEN1 (0.43) NOTUMDRD2DRD3
SCHEMBL8098686 0.81 THRB (0.46) FFAR4CYP3A4
SCHEMBL8103211 0.79 FADS1 (0.44) DRD2DRD3
SCHEMBL8093681 0.79 NOTUM (0.45) NOTUMDRD2DRD3KCNH2OPRL1
SCHEMBL27509910 0.78 DRD2 (0.40) NOTUMDRD2DRD3KCNH2OPRL1

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-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed