SCHEMBL6974500

SCHEMBL6974500

O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H](CN1CC[C@H](O)C1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.54
OPRK1 P41145 10/20 0.53
CYP2D6 P10635 2/20 0.53
CCR5 P51681 1/20 0.52
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
UTS2R Q9UKP6 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL6974499 1.00 SIGMAR1 (0.54) SIGMAR1OPRK1CYP2D6CCR5OPRM1
SCHEMBL24360664 0.89 SIGMAR1 (0.53) SIGMAR1OPRK1CYP2D6CCR5OPRM1
SCHEMBL18413278 0.85 OPRD1 (0.61) SIGMAR1OPRK1CYP2D6OPRM1OPRD1
SCHEMBL16412622 0.83 OPRK1 (0.43) SIGMAR1OPRK1CYP2D6OPRM1OPRD1
SCHEMBL16412620 0.83 OPRK1 (0.43) SIGMAR1OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9127804 0.83 OPRK1 (0.43) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL16419243 0.83 OPRK1 (0.43) SIGMAR1OPRK1CYP2D6OPRM1OPRD1
SCHEMBL16412645 0.81 SIGMAR1 (0.43) SIGMAR1OPRK1CYP2D6OPRM1OPRD1
SCHEMBL16421374 0.81 SIGMAR1 (0.43) SIGMAR1OPRK1CYP2D6OPRM1OPRD1
SCHEMBL16412649 0.81 SIGMAR1 (0.43) SIGMAR1OPRK1CYP2D6OPRM1OPRD1

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 11 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
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
US-5952369-A ANALGESIC, TREATMENT FOR STROKE OR ABDOMINAL PAIN ASSOCIATED WITH FUNCTIONAL BOWEL DISEASE PFIZER INC (US) 1999-09-14 US disclosed
EP-0817772-A1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER INC. (US) 1998-01-14 EP disclosed
WO-1996030339-A1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER INC. (US) 1996-10-03 WO disclosed