SCHEMBL8745970

SCHEMBL8745970

Cn1c(S)nnc1C(O)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.41
MC4R P32245 1/20 0.36
NPFFR1 Q9GZQ6 1/20 0.36
NPFFR2 Q9Y5X5 1/20 0.36
ACP3 P15309 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNB1 Q02641 1/20 0.32
CACNA1C Q13936 1/20 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
SCHEMBL8745951 0.77 TSHR (0.41) HSD11B1MC4RNPFFR1NPFFR2ACP3
SCHEMBL8753200 0.76 CBLB (0.43) HSD11B1MC4RACP3OPRM1OPRD1
SCHEMBL9776265 0.73 ACP3 (0.50) MC4RNPFFR1NPFFR2ACP3OPRM1
SCHEMBL30903830 0.73 ACP3 (0.50) MC4RNPFFR1NPFFR2ACP3OPRM1
SCHEMBL8745905 0.68 RBP4 (0.40) HSD11B1MC4RACP3OPRM1OPRD1
SCHEMBL3289370 0.67 ACP3 (0.57) ACP3OPRM1OPRD1OPRK1OPRL1
SCHEMBL30986703 0.67 ACP3 (0.57) ACP3OPRM1OPRD1OPRK1OPRL1
SCHEMBL3294921 0.67 ACP3 (0.57) ACP3OPRM1OPRD1OPRK1OPRL1
SCHEMBL13168657 0.66 ACP3 (0.47) HSD11B1MC4RACP3OPRM1OPRD1
SCHEMBL29907993 0.66 ACP3 (0.47) HSD11B1MC4RACP3OPRM1OPRD1

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
US-5672567-A PRE- AND POST-EMERGENCE ZENECA LIMITED (GB) 1997-09-30 US disclosed
US-5670453-A PYRAZINEARYL COMPOUND ZENECA LIMITED (GB) 1997-09-23 US disclosed
EP-0758323-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1997-02-19 EP disclosed
WO-1995029898-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1995-11-09 WO disclosed