SCHEMBL31620148

SCHEMBL31620148

C[C@@]12CCC[C@H]1[C@@H]1CCC3CCCC[C@]3(CCO)[C@H]1CC2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 0.48
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
GRIN1 Q05586 8/20 0.42
GRIN2B Q13224 8/20 0.42
MBOAT4 Q96T53 2/20 0.40
AKR1B10 O60218 1/20 0.37
CYP19A1 P11511 4/20 0.34
ESR1 P03372 1/20 0.34
AR P10275 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL26060781 0.89 NR1I3 (0.50) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL10878141 0.89 NR1I3 (0.50) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL11580475 0.89 NR1I3 (0.50) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL10878132 0.89 NR1I3 (0.50) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL10886062 0.86 CDK5 (0.48) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL10886068 0.86 CDK5 (0.48) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL2195019 0.85 CDK5 (0.48) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL947528 0.83 CDK5 (0.47) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL28302658 0.81 CDK5 (0.45) NR1I3CDK5CDK5R1GRIN1GRIN2B
SCHEMBL27317899 0.81 GRIN1 (0.55) NR1I3CDK5CDK5R1GRIN1GRIN2B

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
CN-120136946-A Method for preparing dienogest by one-pot method 江西君业生物制药有限公司 2025-06-13 CN disclosed