SCHEMBL8089666

SCHEMBL8089666

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
KCNH2 Q12809 3/20 0.44
NOTUM Q6P988 1/20 0.43
OPRL1 P41146 1/20 0.40
MCHR1 Q99705 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
HCRTR1 O43613 4/20 0.38
HCRTR2 O43614 4/20 0.38
DHFR P00374 1/20 0.38
METAP2 P50579 1/20 0.38
DGAT1 O75907 1/20 0.38
CYP3A4 P08684 1/20 0.37
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 1/20 0.36
MGLL Q99685 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
SCHEMBL8097093 0.89 PIM1 (0.41) DRD2DRD3KCNH2NOTUMPIM1
SCHEMBL8103660 0.84 NOTUM (0.45) DRD2DRD3KCNH2NOTUMOPRL1
SCHEMBL8552157 0.84 DRD2 (0.44) DRD2DRD3KCNH2NOTUMOPRL1
SCHEMBL8097196 0.82 MGLL (0.45) DRD2DRD3ROCK2MGLL
SCHEMBL6507979 0.82 DRD2 (0.43) DRD2DRD3KCNH2NOTUMOPRL1
SCHEMBL6509757 0.81 MEN1 (0.43) DRD2DRD3KCNH2
SCHEMBL8097217 0.81 CTSG (0.41) MGLL
SCHEMBL8096938 0.79 FADS1 (0.44) DRD2DRD3MGLL
SCHEMBL8105245 0.79 ALDH1A1 (0.47) DRD2DRD3KCNH2MGLL
SCHEMBL27509910 0.78 DRD2 (0.40) DRD2DRD3KCNH2NOTUMOPRL1

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 8 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
CN-1203599-A Substitued pyrrolidinone, thiazolidinone or oxazolidinone as herbicides ZENECA LTD (GB) 1998-12-30 CN disclosed
EP-0863894-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES ZENECA LIMITED (GB) 1998-09-16 EP disclosed
US-5705456-A AZETIDIN-2-ONES ZENECA LIMITED (GB) 1998-01-06 US disclosed
WO-1997020838-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES ZENECA LIMITED (GB) 1997-06-12 WO 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