SCHEMBL6983806

SCHEMBL6983806

O=C(Cc1cccc(C(F)(F)F)c1)N(O)C(CN1CCC(O)C1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 15/20 0.61
CYP2D6 P10635 8/20 0.56
OPRM1 P35372 8/20 0.50
OPRD1 P41143 8/20 0.50
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL6983811 1.00 OPRK1 (0.61) OPRK1CYP2D6OPRM1OPRD1SIGMAR1
SCHEMBL6977525 0.90 OPRK1 (0.63) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6977531 0.90 OPRK1 (0.63) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6983991 0.86 OPRK1 (0.53) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6982844 0.86 CCR5 (0.58) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6982841 0.86 CCR5 (0.58) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6983993 0.86 OPRK1 (0.53) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6979455 0.84 CCR5 (0.58) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6979451 0.84 CCR5 (0.58) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6980836 0.84 OPRK1 (0.54) OPRK1CYP2D6OPRM1OPRD1

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 3 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 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