SCHEMBL9744634

SCHEMBL9744634

C/C(=C\C(NC(C)C)C(=O)O)CP(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.56
GRIN3B O60391 1/20 0.56
GRIN1 Q05586 1/20 0.56
GRIN2A Q12879 1/20 0.56
GRIN2B Q13224 1/20 0.56
GRIN2C Q14957 1/20 0.56
GRIN3A Q8TCU5 1/20 0.56
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OTC P00480 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL9744644 1.00 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9745082 0.83 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9745069 0.83 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9840981 0.81 CYP2D6 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9744240 0.81 CYP2D6 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL9744234 0.80 CYP2D6 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL9744246 0.80 CYP2D6 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9744372 0.72 ACP3 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9744384 0.72 ACP3 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Cgp-37849 SCHEMBL10583378 0.72 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175344-A Anticonvulsants, anxiolytic agents CIBA-GEIGY CORPORATION (US) 1992-12-29 US disclosed
US-5051413-A For treatment of ischemia, antispasmodic agents, anticonvulsants and anxiety or manic conditions CIBA-GEIGY CORPORATION (US) 1991-09-24 US disclosed
EP-0302826-A2 Process for the preparation of unsaturated amino acid compounds CIBA-GEIGY AG (CH) 1989-02-08 EP disclosed
EP-0302633-A2 Beta-lactam compound, process for preparing the same, intermediate for synthesis of the same and medicinal composition for bacterially infectious disease therapy containing the same SANKEI PHARMACEUTICAL COMPANY LIMITED (JP) 1989-02-08 EP disclosed