SCHEMBL9744509

SCHEMBL9744509

CCCCC(=CC(N)C(=O)O)CP(=O)(O)O

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.57
GRIN3B O60391 1/20 0.57
GRIN1 Q05586 1/20 0.57
GRIN2A Q12879 1/20 0.57
GRIN2B Q13224 1/20 0.57
GRIN2C Q14957 1/20 0.57
GRIN3A Q8TCU5 1/20 0.57
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LAP3 P28838 2/20 0.39
S1PR2 O95136 5/20 0.35
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 5/20 0.35
S1PR4 O95977 4/20 0.35
OTC P00480 1/20 0.35

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
SCHEMBL9744495 1.00 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL499891 0.90 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31105719 0.90 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL499893 0.90 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL499892 0.90 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8988902 0.86 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9177281 0.86 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9180590 0.84 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8989076 0.84 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8989073 0.84 GRIN2D (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233154-B1 UNSATURATED AMINO-ACIDS CIBA-GEIGY AG (CH) 1991-12-18 EP claimed
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