SCHEMBL21779809

SCHEMBL21779809

CCC(C)CN1CCC(O)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.41
OPRK1 P41145 4/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
KCNA3 P22001 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP2D6 P10635 3/20 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
SCHEMBL19622374 0.88 SHBG (0.39) DPP4KCNA3KDM4ECYP2D6
SCHEMBL18773810 0.84 PIK3CD (0.33) DPP4
SCHEMBL23178873 0.83 KDM4E (0.40) DPP4OPRK1OPRM1OPRD1KCNA3
SCHEMBL15133968 0.82 PIK3CD (0.45) DPP4OPRK1OPRM1OPRD1KCNA3
SCHEMBL13923638 0.82 PIK3CD (0.45) DPP4OPRK1OPRM1OPRD1KCNA3
SCHEMBL6629183 0.82 PIK3CD (0.45) DPP4OPRK1OPRM1OPRD1KCNA3
SCHEMBL26013893 0.80 PDCD1 (0.40) DPP4KCNA3
SCHEMBL25361940 0.78 DPP4 (0.42) DPP4OPRK1OPRM1OPRD1KCNA3
SCHEMBL25361108 0.78 DPP4 (0.42) DPP4OPRK1OPRM1OPRD1KCNA3
SCHEMBL25364357 0.78 DPP4 (0.42) DPP4OPRK1OPRM1OPRD1KCNA3

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-3616753-A1 COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed