SCHEMBL8922650

SCHEMBL8922650

O=C(O)c1cccc(CCCSc2c(O)c3c(Cl)cc(Cl)cc3[nH]c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.43
AR P10275 1/20 0.43
GRIN1 Q05586 4/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
GART P22102 1/20 0.41
FBP1 P09467 1/20 0.39
GPR17 Q13304 1/20 0.39
ACMSD Q8TDX5 1/20 0.39

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
SCHEMBL8921234 0.90 GRIN2D (0.42) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8924327 0.89 CYP4F2 (0.45) GART
SCHEMBL8924304 0.89 GRIN1 (0.46) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8921936 0.82 GRIN2D (0.44) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8923576 0.81 CYP4A11 (0.40) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8921159 0.80 GRIN2D (0.42) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8922553 0.80 GRIN2D (0.44) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8919961 0.80 GRIN1 (0.44) GRIN1GRIN2A
SCHEMBL8923061 0.79 GRIN1 (0.44) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8924322 0.77 GRIN2D (0.43) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B

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-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US claimed
US-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed