SCHEMBL8745905

SCHEMBL8745905

Cn1cncc1C(O)c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.40
ACP3 P15309 1/20 0.38
MC4R P32245 1/20 0.37
HSD11B1 P28845 2/20 0.36
CNR2 P34972 1/20 0.35
IDO1 P14902 2/20 0.35
PLK1 P53350 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
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34

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 0.78 TSHR (0.41) ACP3MC4RHSD11B1CNR2OPRM1
SCHEMBL20002513 0.77 ACP3 (0.36) ACP3CNR2IDO1OPRM1OPRD1
SCHEMBL25745996 0.76 ALDH1A1 (0.41) MEN1ALDH1A1LMNACYP1A2MAPT
SCHEMBL7571137 0.75 KDM4E (0.49) IDO1ALDH1A1LMNACYP3A4CYP2D6
SCHEMBL8753200 0.74 CBLB (0.43) ACP3MC4RHSD11B1OPRM1OPRD1
SCHEMBL9776265 0.74 ACP3 (0.50) ACP3MC4RCNR2IDO1OPRM1
SCHEMBL30903830 0.74 ACP3 (0.50) ACP3MC4RCNR2IDO1OPRM1
SCHEMBL8745904 0.73 RBP4 (0.37) RBP4CNR2PLK1KMT2A
SCHEMBL7090196 0.72 IDO1 (0.39) IDO1
SCHEMBL3289370 0.71 ACP3 (0.57) ACP3CNR2IDO1OPRM1OPRD1

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