SCHEMBL28929680

SCHEMBL28929680

COC(=O)c1cnc(NCC2CCN(C(=O)OC(C)(C)C)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
BCDIN3D Q7Z5W3 1/20 0.52
GRIN2B Q13224 11/20 0.49
GPR119 Q8TDV5 2/20 0.49
SYK P43405 1/20 0.49
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
FAAH O00519 1/20 0.44

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
SCHEMBL12939727 0.90 GRIN2B (0.52) KDM4EPKMBCDIN3DGRIN2BGPR119
SCHEMBL4460419 0.86 IDO1 (0.53) KDM4EPKMBCDIN3DGRIN2BGPR119
SCHEMBL23185880 0.83 ALDH1A1 (0.56) GPR119
SCHEMBL20924281 0.82 MEN1 (0.48) KDM4EGRIN2B
SCHEMBL62954 0.80 GPR119 (0.54) KDM4EPKMGPR119
SCHEMBL5077936 0.79 GPR119 (0.63) GPR119
SCHEMBL31747299 0.78 KDM4E (0.60) KDM4EPKMGPR119
SCHEMBL12124825 0.78 CHEK1 (0.49) KDM4EPKMBCDIN3DGPR119SYK
SCHEMBL1937127 0.78 KDM4E (0.53) KDM4EPKMBCDIN3DGRIN2BGPR119
SCHEMBL23012275 0.78 BCDIN3D (0.49) KDM4EPKMBCDIN3DGRIN2BGPR119

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-113735830-A Hydroximic acid derivatives and application thereof 成都自豪药业有限公司 2021-12-03 CN disclosed