SCHEMBL875201

SCHEMBL875201

CO/N=C/CNC(=O)c1ccc(C2=NOC(c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.35
OPRL1 P41146 1/20 0.35
DGAT2 Q96PD7 2/20 0.33
DRD3 P35462 2/20 0.33
ORAI1 Q96D31 1/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
CCR1 P32246 2/20 0.32
RECQL P46063 1/20 0.32
HTT P42858 1/20 0.32
HTR1A P08908 2/20 0.31
DRD2 P14416 2/20 0.31
HTR2A P28223 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL875203 1.00 OPRM1 (0.35) OPRM1OPRL1DGAT2DRD3ORAI1
SCHEMBL875202 1.00 OPRM1 (0.35) OPRM1OPRL1DGAT2DRD3ORAI1
SCHEMBL10083433 0.94 TACR1 (0.33) DGAT2SCN9A
SCHEMBL10072327 0.91
SCHEMBL10081198 0.91
SCHEMBL875585 0.89 S1PR3 (0.31)
SCHEMBL875584 0.89 S1PR3 (0.31)
SCHEMBL875583 0.89 S1PR3 (0.31)
SCHEMBL883482 0.88 KCNN4 (0.33) F2F10PRSS1
SCHEMBL10072319 0.88 PDK2 (0.32) ORAI1

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-2619189-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS Zoetis LLC (US) 2013-07-31 EP disclosed
WO-2012038851-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 WO disclosed