SCHEMBL20858795

SCHEMBL20858795

CC(C)(C)OC(=O)N1CC2(CCC(O)(Cc3ccccc3)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
SCD5 Q86SK9 1/20 0.43
GPR119 Q8TDV5 2/20 0.43
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
GRIN2B Q13224 2/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
CYP11B2 P19099 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
RORC P51449 2/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
TACR1 P25103 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL25410856 0.94 SCD5 (0.46) STSOPRM1OPRL1SCD5GPR119
SCHEMBL16600822 0.91 GRIN2B (0.50) STSSCD5GPR119OPRD1OPRK1
SCHEMBL9937601 0.87 STS (0.46) STSGPR119OPRD1OPRK1GRIN2B
SCHEMBL2993411 0.82 OPRD1 (0.48) STSSCD5GPR119OPRD1OPRK1
SCHEMBL2951728 0.82 OPRD1 (0.53) STSOPRM1OPRL1GPR119OPRD1
SCHEMBL25412681 0.81 JAK2 (0.42) STSSCD5GPR119OPRD1OPRK1
SCHEMBL25306708 0.80 GPR119 (0.50) STSSCD5GPR119OPRD1OPRK1
SCHEMBL26986851 0.78 STS (0.46) STSGPR119OPRD1OPRK1JAK2
SCHEMBL26631461 0.77 SCD5 (0.48) SCD5GPR119OPRD1OPRK1CYP11B2
SCHEMBL19173661 0.77 RORC (0.53) STSGPR119OPRD1OPRK1RORC

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-3461827-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B Cadent Therapeutics, Inc. (US) 2019-04-03 EP disclosed