SCHEMBL6977525

SCHEMBL6977525

O=C(Cc1ccc(C(F)(F)F)cc1)N(O)C(CN1CCC(O)C1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 17/20 0.63
CYP2D6 P10635 9/20 0.63
CCR5 P51681 1/20 0.59
OPRM1 P35372 14/20 0.56
OPRD1 P41143 14/20 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
SCHEMBL6977531 1.00 OPRK1 (0.63) OPRK1CYP2D6CCR5OPRM1OPRD1
SCHEMBL6983806 0.90 OPRK1 (0.61) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6983811 0.90 OPRK1 (0.61) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL17764962 0.89 OPRK1 (0.75) OPRK1CYP2D6CCR5OPRM1OPRD1
SCHEMBL17764961 0.89 OPRK1 (0.75) OPRK1CYP2D6CCR5OPRM1OPRD1
SCHEMBL6985662 0.89 OPRK1 (0.64) OPRK1CYP2D6CCR5OPRM1OPRD1
SCHEMBL6985660 0.89 OPRK1 (0.64) OPRK1CYP2D6CCR5OPRM1OPRD1
Hydrochloric Acid SCHEMBL6478741 0.89 OPRK1 (0.74) OPRK1CYP2D6CCR5OPRM1OPRD1
SCHEMBL6977756 0.87 OPRK1 (0.58) OPRK1CYP2D6CCR5OPRM1OPRD1
SCHEMBL6977759 0.87 OPRK1 (0.58) OPRK1CYP2D6CCR5OPRM1OPRD1

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 8 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
EP-0817772-A1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER INC. (US) 1998-01-14 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
EP-0982297-A2 Process for the preparation of hydroxy-pyrrolidinyl hydroxamic acid derivatives being opioid kappa receptor agonists Pfizer Products Inc. (US) 2000-03-01 EP disclosed
US-6031114-A Process for pyrrolidinyl hydroxamic acid compounds PFIZER INC. (US) 2000-02-29 US disclosed
WO-1996030339-A1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER INC. (US) 1996-10-03 WO disclosed