SCHEMBL8551509

SCHEMBL8551509

O=C(Cc1c(Cl)cccc1Cl)N(O)C[C@@H](c1ccccc1)N1CC[C@H](O)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
OPRK1 P41145 6/20 0.38
CYP2D6 P10635 3/20 0.38
CCR5 P51681 2/20 0.38
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
CACNA2D1 P54289 2/20 0.36
CACNA1B Q00975 2/20 0.36
CACNB1 Q02641 2/20 0.36
CACNA1C Q13936 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8552270 0.90 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3OPRK1CYP2D6
SCHEMBL8553707 0.88 CCR5 (0.48) OPRK1CYP2D6CCR5OPRM1OPRD1
SCHEMBL8547882 0.86 CCR5 (0.43) SLC6A2SLC6A4OPRK1CYP2D6CCR5
SCHEMBL8550877 0.85 CCR5 (0.51) SIGMAR1OPRK1CYP2D6CCR5OPRM1
SCHEMBL8552457 0.81 CCR5 (0.48) SIGMAR1OPRK1CYP2D6CCR5OPRM1
SCHEMBL8551862 0.79 TACR1 (0.41) OPRK1CYP2D6CCR5OPRM1OPRD1
SCHEMBL8476568 0.75 CCR5 (0.43) SIGMAR1OPRK1CYP2D6CCR5OPRM1
SCHEMBL6979619 0.75 OPRK1 (0.55) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL6979616 0.75 OPRK1 (0.55) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9098158 0.73 CCR5 (0.49) SIGMAR1OPRK1CYP2D6CCR5OPRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817772-A1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER INC. (US) 1998-01-14 EP claimed