SCHEMBL6970856

SCHEMBL6970856

O=C(Cc1ccccc1Cl)N(O)[C@H](CN1CC[C@H](O)C1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.56
OPRK1 P41145 10/20 0.55
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
CYP2D6 P10635 7/20 0.55

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
SCHEMBL6970851 1.00 CCR5 (0.56) CCR5OPRK1OPRM1OPRD1CYP2D6
SCHEMBL6973106 0.94 OPRK1 (0.53) CCR5OPRK1OPRM1OPRD1CYP2D6
SCHEMBL6973107 0.94 OPRK1 (0.53) CCR5OPRK1OPRM1OPRD1CYP2D6
SCHEMBL6973690 0.90 OPRK1 (0.56) CCR5OPRK1OPRM1OPRD1CYP2D6
SCHEMBL6973689 0.90 OPRK1 (0.56) CCR5OPRK1OPRM1OPRD1CYP2D6
SCHEMBL6983486 0.90 CCR5 (0.58) CCR5OPRK1OPRM1OPRD1CYP2D6
SCHEMBL8642848 0.90 CCR5 (0.58) CCR5OPRK1OPRM1OPRD1CYP2D6
SCHEMBL6983483 0.90 CCR5 (0.58) CCR5OPRK1OPRM1OPRD1CYP2D6
SCHEMBL6979616 0.90 OPRK1 (0.55) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL6979619 0.90 OPRK1 (0.55) 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 4 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
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