SCHEMBL6982333

SCHEMBL6982333

Cc1ccc([C@@H](CN2CC[C@H](O)C2)N(O)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.53
CYP2D6 P10635 3/20 0.53
OPRM1 P35372 4/20 0.50
OPRD1 P41143 4/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
UTS2R Q9UKP6 1/20 0.50
CCR5 P51681 1/20 0.49

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
SCHEMBL6982329 1.00 OPRK1 (0.53) OPRK1CYP2D6OPRM1OPRD1ALDH1A1
SCHEMBL6983247 0.92 OPRK1 (0.52) OPRK1CYP2D6OPRM1OPRD1ALDH1A1
SCHEMBL6983250 0.92 OPRK1 (0.52) OPRK1CYP2D6OPRM1OPRD1ALDH1A1
SCHEMBL6973674 0.90 OPRK1 (0.61) OPRK1CYP2D6OPRM1OPRD1ALDH1A1
SCHEMBL6981228 0.90 OPRK1 (0.61) OPRK1CYP2D6OPRM1OPRD1ALDH1A1
SCHEMBL6979508 0.90 OPRK1 (0.61) OPRK1CYP2D6OPRM1OPRD1ALDH1A1
SCHEMBL6983978 0.90 OPRK1 (0.61) OPRK1CYP2D6OPRM1OPRD1ALDH1A1
SCHEMBL6973676 0.90 OPRK1 (0.61) OPRK1CYP2D6OPRM1OPRD1ALDH1A1
SCHEMBL8154488 0.90 OPRK1 (0.59) OPRK1CYP2D6OPRM1OPRD1ALDH1A1
SCHEMBL8154492 0.90 OPRK1 (0.59) OPRK1CYP2D6OPRM1OPRD1ALDH1A1

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