SCHEMBL6982131

SCHEMBL6982131

O=C(Cc1c(Cl)cc(Cl)cc1Cl)N(O)C(CN1CCC(O)C1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 10/20 0.56
CYP2D6 P10635 7/20 0.56
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54

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
SCHEMBL6982138 1.00 OPRK1 (0.56) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6979619 0.93 OPRK1 (0.55) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6979616 0.93 OPRK1 (0.55) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6981940 0.90 OPRK1 (0.53) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6981943 0.90 OPRK1 (0.53) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6974434 0.90 OPRK1 (0.54) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6974429 0.90 OPRK1 (0.54) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL8642848 0.89 CCR5 (0.58) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6983486 0.89 CCR5 (0.58) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6983483 0.89 CCR5 (0.58) 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