SCHEMBL7406145

SCHEMBL7406145

NC(CCc1c(O)noc1-c1ccc(F)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 2/20 0.46
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GRM6 O15303 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KIF11 P52732 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
SLC1A5 Q15758 1/20 0.33
TRPV1 Q8NER1 2/20 0.33

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
SCHEMBL7406141 1.00 TPH1 (0.46) TPH1MEN1KMT2AGRM6CYP1A2
SCHEMBL8128581 0.88 KIF11 (0.39) MEN1KMT2AGRM6CYP1A2CYP2C9
SCHEMBL8128585 0.88 KIF11 (0.39) MEN1KMT2AGRM6CYP1A2CYP2C9
SCHEMBL7367073 0.87 TPH1 (0.53) TPH1MEN1KMT2ACYP2C9ALOX15
SCHEMBL7365684 0.87 TPH1 (0.53) TPH1MEN1KMT2ACYP2C9ALOX15
SCHEMBL7452730 0.81 SLC1A3 (0.35) MEN1KMT2AGRM6CYP1A2CYP2C9
SCHEMBL7452720 0.81 SLC1A3 (0.35) MEN1KMT2AGRM6CYP1A2CYP2C9
SCHEMBL7408347 0.81 SLC7A11 (0.45) TPH1MEN1KMT2ACYP1A2KDM4E
SCHEMBL7408342 0.81 SLC7A11 (0.45) TPH1MEN1KMT2ACYP1A2KDM4E
SCHEMBL8125246 0.81 NOS1 (0.43) KMT2AKIF11GRIK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1056837-C 5-arylisoxazol-4-yl-substituted 2-aminocarboxylic acid compounds LUNDBECK & CO AS H (DK) 2000-09-27 CN disclosed
EP-0994107-A1 5-Arylisoxazol-4-yl-substituted 2-amino carboxylic acid compounds H. LUNDBECK A/S (DK) 2000-04-19 EP disclosed
CN-1136810-A 5-arylisoxazol-4-yl-substituted 2-aminocarboxylic acid compounds LUNDBECK & CO AS H (DK) 1996-11-27 CN disclosed
EP-0726896-A1 5-ARYLISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS H. LUNDBECK A/S (DK) 1996-08-21 EP disclosed
WO-1995012587-A1 5-ARYLISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS H. LUNDBECK A/S (DK) 1995-05-11 WO disclosed