SCHEMBL17284231

SCHEMBL17284231

NN1CCC(O)(c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.40
OPRM1 P35372 4/20 0.40
OPRD1 P41143 4/20 0.40
OPRK1 P41145 4/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP46A1 Q9Y6A2 1/20 0.39
POLB P06746 1/20 0.38
S1PR2 O95136 1/20 0.37
LMNA P02545 1/20 0.37
PKLR P30613 1/20 0.35
CCR3 P51677 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HSD11B1 P28845 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL23215085 0.81 OPRL1 (0.42) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL17285882 0.81 EGFR (0.46) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL21078109 0.81 OPRL1 (0.40) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL11213153 0.80 OPRL1 (0.58) OPRL1OPRM1OPRD1OPRK1POLB
SCHEMBL20069796 0.79 ALDH1A1 (0.59) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL17281949 0.78 OPRM1 (0.47) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL28206644 0.77 CYP17A1 (0.37) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL11205205 0.77 CCR3 (0.57) OPRL1OPRM1OPRD1OPRK1CCR3
SCHEMBL16549503 0.77 ALDH1A1 (0.48) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL20147690 0.77 OPRM1 (0.51) OPRL1OPRM1OPRD1OPRK1ALDH1A1

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
WO-2015177326-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-11-26 WO disclosed