SCHEMBL9299206

SCHEMBL9299206

O=C(O)[C@@H]1C[C@@H](Sc2ccc(Cl)cc2)CN1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 12/20 0.52
GRIA2 P42262 9/20 0.46
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 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
SCHEMBL3187942 1.00 GRIK1 (0.52) GRIK1GRIA2CYP2C19CYP2C9HSD17B10
SCHEMBL9299199 1.00 GRIK1 (0.52) GRIK1GRIA2CYP2C19CYP2C9HSD17B10
SCHEMBL642481 0.86 GRIK1 (0.52) GRIK1GRIA2CYP2C19CYP1A2CYP2D6
SCHEMBL7890460 0.86 GRIK1 (0.52) GRIK1GRIA2CYP2C19CYP1A2CYP2D6
SCHEMBL7455717 0.86 GRIK1 (0.52) GRIK1GRIA2CYP2C19CYP1A2CYP2D6
SCHEMBL9298944 0.86 GRIK1 (0.52) GRIK1GRIA2CYP2C19CYP1A2CYP2D6
SCHEMBL642482 0.86 GRIK1 (0.52) GRIK1GRIA2CYP2C19CYP1A2CYP2D6
SCHEMBL9298943 0.86 GRIK1 (0.52) GRIK1GRIA2CYP2C19CYP1A2CYP2D6
SCHEMBL12589787 0.85 GRIK1 (0.52) GRIK1GRIA2CYP2C19CYP1A2CYP2D6
SCHEMBL9299052 0.85 GRIK1 (0.52) GRIK1GRIA2CYP2C19CYP1A2CYP2D6

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