SCHEMBL8787883

SCHEMBL8787883

O=C1C(Cl)SCN1c1cccc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GRIN2B Q13224 3/20 0.38
ACACB O00763 3/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
BACE1 P56817 1/20 0.34
LCAT P04180 2/20 0.34
CXCR3 P49682 1/20 0.34
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
HTR1A P08908 1/20 0.33
P2RX7 Q99572 2/20 0.32

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
SCHEMBL8788983 0.84 GRIN2B (0.40) OPRM1SIGMAR1GRIN2BACACBHCRTR1
SCHEMBL8789012 0.76 GRIN2B (0.37) OPRM1SIGMAR1GRIN2BACACBHCRTR1
SCHEMBL8788444 0.73 HRH3 (0.38) OPRM1SIGMAR1ACACBHRH3HTR1A
SCHEMBL6509757 0.71 MEN1 (0.43) SIGMAR1
SCHEMBL8098982 0.71 ALDH1A1 (0.37)
SCHEMBL10732284 0.70 L3MBTL1 (0.39) P2RX7
SCHEMBL8098675 0.70 NOTUM (0.41) GRIN2BP2RX7
SCHEMBL8098667 0.70 HDAC1 (0.38)
SCHEMBL9286751 0.69 HRH3 (0.35) OPRM1SIGMAR1ACACBHRH3HTR1A
SCHEMBL8787984 0.69 HRH3 (0.35) OPRM1SIGMAR1GRIN2BACACBHCRTR1

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