SCHEMBL6982841

SCHEMBL6982841

O=C(Cc1cccc(Cl)c1)N(O)C(CN1CCC(O)C1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.58
OPRK1 P41145 14/20 0.53
CYP2D6 P10635 8/20 0.53
OPRM1 P35372 8/20 0.53
OPRD1 P41143 8/20 0.53

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
SCHEMBL6982844 1.00 CCR5 (0.58) CCR5OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6974429 0.92 OPRK1 (0.54) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6974434 0.92 OPRK1 (0.54) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9450018 0.89 OPRK1 (0.65) CCR5OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6979166 0.89 OPRK1 (0.58) CCR5OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6979168 0.89 OPRK1 (0.58) CCR5OPRK1CYP2D6OPRM1OPRD1
SCHEMBL27567265 0.89 OPRK1 (0.58) CCR5OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6981228 0.88 OPRK1 (0.61) CCR5OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6979508 0.88 OPRK1 (0.61) CCR5OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6973674 0.88 OPRK1 (0.61) CCR5OPRK1CYP2D6OPRM1OPRD1

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 2 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
WO-1996030339-A1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER INC. (US) 1996-10-03 WO disclosed