SCHEMBL6977798

SCHEMBL6977798

O=C(Cc1c(Cl)ccc(Cl)c1Cl)N(O)C(CN1CCCC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 16/20 0.60
CYP2D6 P10635 6/20 0.56
UTS2R Q9UKP6 5/20 0.56
CYP3A4 P08684 4/20 0.56
OPRD1 P41143 3/20 0.56
OPRM1 P35372 2/20 0.56
TSHR P16473 2/20 0.56
CYP2C19 P33261 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL6977802 1.00 OPRK1 (0.60) OPRK1CYP2D6UTS2RCYP3A4OPRD1
SCHEMBL8073945 0.87 OPRK1 (0.47) OPRK1CYP2D6UTS2RCYP3A4OPRD1
SCHEMBL8073943 0.87 OPRK1 (0.47) OPRK1CYP2D6UTS2RCYP3A4OPRD1
SCHEMBL6978624 0.86 OPRK1 (0.55) OPRK1CYP2D6OPRD1OPRM1
SCHEMBL6978617 0.86 OPRK1 (0.55) OPRK1CYP2D6OPRD1OPRM1
SCHEMBL6974570 0.84 OPRD1 (0.78) OPRK1CYP2D6UTS2RCYP3A4OPRD1
SCHEMBL6974576 0.84 OPRD1 (0.78) OPRK1CYP2D6UTS2RCYP3A4OPRD1
SCHEMBL8073905 0.83 OPRD1 (0.77) OPRK1CYP2D6UTS2RCYP3A4OPRD1
SCHEMBL8082528 0.83 OPRD1 (0.77) OPRK1CYP2D6UTS2RCYP3A4OPRD1
SCHEMBL8073903 0.83 OPRD1 (0.77) OPRK1CYP2D6UTS2RCYP3A4OPRD1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817772-B1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER (US) 2003-01-29 EP claimed
WO-1996030339-A1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER INC. (US) 1996-10-03 WO claimed
EP-0817772-B1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER (US) 2003-01-29 EP disclosed
US-6110947-A AN ANALGESIC AGENT FOR TREATING STROKE, ABDOMINAL PAIN; AS ANTIINFLAMMATORY, DIURETIC, ANESTHETIC OR NEUROPROTECTIVE AGENTS PFIZER INC. (US) 2000-08-29 US disclosed
WO-1996030339-A1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER INC. (US) 1996-10-03 WO disclosed