SCHEMBL8566028

SCHEMBL8566028

CCS(=O)(CC)=NCCC(CCC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 15/20 0.47
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRM3 Q14832 2/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.41

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
SCHEMBL8427426 0.84 FOLH1 (0.49) FOLH1GRM3NAALAD2
SCHEMBL1374810 0.84 FOLH1 (0.47) FOLH1GRM3NAALAD2
SCHEMBL8208550 0.77 CPA3 (0.55) FOLH1NAALAD2
SCHEMBL108166 0.74 FOLH1 (0.76) FOLH1GRM3NAALAD2
SCHEMBL1374295 0.73 FOLH1 (0.43) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL2230782 0.73 CHRM1 (0.76) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL27682564 0.73 CHRM1 (0.61) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL7054600 0.73 FOLH1 (0.52) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL29060942 0.72 FOLH1 (0.73) FOLH1GRM3NAALAD2
SCHEMBL13726298 0.72 FOLH1 (0.73) FOLH1GRM3NAALAD2

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-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP disclosed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO disclosed