SCHEMBL6974576

SCHEMBL6974576

O=C(Cc1ccc(Cl)c(Cl)c1)N(O)[C@H](CN1CCCC1)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.78
OPRM1 P35372 2/20 0.78
OPRK1 P41145 2/20 0.78
ALDH1A1 P00352 1/20 0.78
TP53 P04637 1/20 0.78
CYP1A2 P05177 1/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2D6 P10635 1/20 0.78
CYP2C9 P11712 1/20 0.78
TSHR P16473 1/20 0.78
MAPK1 P28482 1/20 0.78
CYP2C19 P33261 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
UTS2R Q9UKP6 1/20 0.78

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
SCHEMBL6974570 1.00 OPRD1 (0.78) OPRD1OPRM1OPRK1ALDH1A1TP53
SCHEMBL8073903 0.99 OPRD1 (0.77) OPRD1OPRM1OPRK1ALDH1A1TP53
SCHEMBL8073905 0.99 OPRD1 (0.77) OPRD1OPRM1OPRK1ALDH1A1TP53
SCHEMBL8082528 0.99 OPRD1 (0.77) OPRD1OPRM1OPRK1ALDH1A1TP53
SCHEMBL8081592 0.98 OPRD1 (0.75) OPRD1OPRM1OPRK1ALDH1A1TP53
SCHEMBL8081602 0.98 OPRD1 (0.75) OPRD1OPRM1OPRK1ALDH1A1TP53
SCHEMBL8108127 0.89 OPRD1 (0.66) OPRD1OPRM1OPRK1ALDH1A1TP53
Ici-199,441 SCHEMBL6639282 0.88 OPRD1 (1.00) OPRD1OPRM1OPRK1ALDH1A1TP53
Ici-199,441 SCHEMBL7640991 0.88 OPRD1 (1.00) OPRD1OPRM1OPRK1ALDH1A1TP53
SCHEMBL17570385 0.87 OPRD1 (0.98) OPRD1OPRM1OPRK1ALDH1A1TP53

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 7 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-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