SCHEMBL28396308

SCHEMBL28396308

Cc1ccccc1NC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 17/20 0.76
GRIN2D O15399 2/20 0.55
GRIN3B O60391 2/20 0.55
GRIN1 Q05586 2/20 0.55
GRIN2A Q12879 2/20 0.55
GRIN2B Q13224 2/20 0.55
GRIN2C Q14957 2/20 0.55
GRIN3A Q8TCU5 2/20 0.55
SIGMAR1 Q99720 2/20 0.55

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
SCHEMBL28393940 0.86 EPHX2 (0.62) EPHX2
SCHEMBL6720873 0.85 EPHX2 (0.55) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28888905 0.83 EPHX2 (0.76) EPHX2
SCHEMBL28393937 0.79 EPHX2 (0.66) EPHX2
SCHEMBL9316491 0.79 SIGMAR1 (0.51) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28395055 0.79 EPHX2 (0.59) EPHX2
SCHEMBL28395025 0.78 EPHX2 (0.62) EPHX2
SCHEMBL28395028 0.78 EPHX2 (0.71) EPHX2
SCHEMBL28396304 0.78 EPHX2 (0.69) EPHX2
SCHEMBL28393267 0.76 EPHX2 (0.76) EPHX2

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
CN-107417578-B N- (3, 5-dimethyl adamantane-1-yl) -N' -substituted phenylurea compound and preparation method and application thereof 沈阳海诺威医药科技有限公司 2020-02-07 CN claimed
CN-107417578-B N- (3, 5-dimethyl adamantane-1-yl) -N' -substituted phenylurea compound and preparation method and application thereof 沈阳海诺威医药科技有限公司 2020-02-07 CN disclosed