SCHEMBL6977759

SCHEMBL6977759

O=C(Cc1ccc(Br)cc1)N(O)[C@H](CN1CC[C@H](O)C1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 16/20 0.58
OPRM1 P35372 13/20 0.58
OPRD1 P41143 13/20 0.58
CYP2D6 P10635 9/20 0.58
CCR5 P51681 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
SCHEMBL28743229 1.00 OPRK1 (0.58) OPRK1OPRM1OPRD1CYP2D6CCR5
SCHEMBL6977756 1.00 OPRK1 (0.58) OPRK1OPRM1OPRD1CYP2D6CCR5
SCHEMBL6985660 0.90 OPRK1 (0.64) OPRK1OPRM1OPRD1CYP2D6CCR5
SCHEMBL6985662 0.90 OPRK1 (0.64) OPRK1OPRM1OPRD1CYP2D6CCR5
SCHEMBL6979168 0.90 OPRK1 (0.58) OPRK1OPRM1OPRD1CYP2D6CCR5
SCHEMBL6979166 0.90 OPRK1 (0.58) OPRK1OPRM1OPRD1CYP2D6CCR5
SCHEMBL27567265 0.90 OPRK1 (0.58) OPRK1OPRM1OPRD1CYP2D6CCR5
SCHEMBL6983991 0.89 OPRK1 (0.53) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL6983993 0.89 OPRK1 (0.53) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9449874 0.89 OPRK1 (0.73) OPRK1OPRM1OPRD1CYP2D6

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 9 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
US-5952369-A ANALGESIC, TREATMENT FOR STROKE OR ABDOMINAL PAIN ASSOCIATED WITH FUNCTIONAL BOWEL DISEASE PFIZER INC (US) 1999-09-14 US 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
US-5952369-A ANALGESIC, TREATMENT FOR STROKE OR ABDOMINAL PAIN ASSOCIATED WITH FUNCTIONAL BOWEL DISEASE PFIZER INC (US) 1999-09-14 US disclosed
WO-1996030339-A1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER INC. (US) 1996-10-03 WO disclosed