SCHEMBL8550877

SCHEMBL8550877

O=C(Cc1ccc(Cl)c(Cl)c1)N(O)C[C@@H](c1ccccc1)N1CC[C@H](O)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.51
OPRK1 P41145 10/20 0.47
OPRM1 P35372 6/20 0.47
OPRD1 P41143 2/20 0.47
CYP2D6 P10635 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
UTS2R Q9UKP6 1/20 0.47
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL8476568 0.90 CCR5 (0.43) CCR5OPRK1OPRM1OPRD1CYP2D6
SCHEMBL8553707 0.89 CCR5 (0.48) CCR5OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9098158 0.88 CCR5 (0.49) CCR5OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9097115 0.87 CCR5 (0.48) CCR5OPRK1OPRM1OPRD1CYP2D6
SCHEMBL8551862 0.86 TACR1 (0.41) CCR5OPRK1OPRM1OPRD1CYP2D6
SCHEMBL8626578 0.86 OPRD1 (0.57) CCR5OPRK1OPRM1OPRD1CYP2D6
SCHEMBL8547882 0.85 CCR5 (0.43) CCR5OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9097458 0.85 CCR5 (0.47) CCR5OPRK1OPRM1OPRD1CYP2D6
SCHEMBL8552457 0.85 CCR5 (0.48) CCR5OPRK1OPRM1OPRD1CYP2D6
SCHEMBL8551509 0.85 SIGMAR1 (0.39) CCR5OPRK1OPRM1OPRD1CYP2D6

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