SCHEMBL9744384

SCHEMBL9744384

CC(=CC(NCc1ccccc1)C(=O)O)CP(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 6/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
ANPEP P15144 2/20 0.40
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
FOLH1 Q04609 1/20 0.38
CYP2C9 P11712 1/20 0.38
ERAP1 Q9NZ08 1/20 0.37

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
SCHEMBL9744372 1.00 ACP3 (0.48) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9744133 0.86 CYP2D6 (0.50) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9744141 0.86 CYP2D6 (0.50) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10581146 0.83 ACP3 (0.50) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10581137 0.83 ACP3 (0.50) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9742903 0.82 MEN1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9742911 0.82 MEN1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9745082 0.75 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9745069 0.75 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9744644 0.72 GRIN2D (0.56) 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 2 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