SCHEMBL9299052

SCHEMBL9299052

Cc1ccc(SC2CN[C@@H](C(=O)O)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 9/20 0.52
GRIA2 P42262 7/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2059256 1.00 GRIK1 (0.52) GRIK1GRIA2CYP1A2CYP2D6ALOX15
SCHEMBL3194382 1.00 GRIK1 (0.52) GRIK1GRIA2CYP1A2CYP2D6ALOX15
SCHEMBL12646596 1.00 GRIK1 (0.52) GRIK1GRIA2CYP1A2CYP2D6ALOX15
SCHEMBL12589787 1.00 GRIK1 (0.52) GRIK1GRIA2CYP1A2CYP2D6ALOX15
SCHEMBL9298943 0.86 GRIK1 (0.52) GRIK1GRIA2CYP1A2CYP2D6ALOX15
SCHEMBL642482 0.86 GRIK1 (0.52) GRIK1GRIA2CYP1A2CYP2D6ALOX15
SCHEMBL642481 0.86 GRIK1 (0.52) GRIK1GRIA2CYP1A2CYP2D6ALOX15
SCHEMBL7890460 0.86 GRIK1 (0.52) GRIK1GRIA2CYP1A2CYP2D6ALOX15
SCHEMBL9298944 0.86 GRIK1 (0.52) GRIK1GRIA2CYP1A2CYP2D6ALOX15
SCHEMBL7455717 0.86 GRIK1 (0.52) GRIK1GRIA2CYP1A2CYP2D6ALOX15

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
EP-0618810-A4 BRADYKININ ANTAGONIST PEPTIDES. SCIOS NOVA INC (US) 1994-12-07 EP disclosed
EP-0618810-A1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed