SCHEMBL7669273

SCHEMBL7669273

O=C(O)C(=O)CCc1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.63
NAPRT Q6XQN6 1/20 0.58
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NAMPT P43490 1/20 0.53
CHRNA7 P36544 1/20 0.52
KDM4E B2RXH2 1/20 0.50
CYP2A6 P11509 1/20 0.49
ESR1 P03372 1/20 0.48
CYP19A1 P11511 1/20 0.48
FFAR1 O14842 1/20 0.48
MAPT P10636 1/20 0.47
FDPS P14324 1/20 0.47

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
SCHEMBL333061 0.85 TBXAS1 (0.78) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL29403620 0.85 TBXAS1 (0.78) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL305976 0.84 TBXAS1 (0.79) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL27446829 0.84 TBXAS1 (0.76) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL27939457 0.83 TBXAS1 (0.64) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
Potassium Ion SCHEMBL27486991 0.82 TBXAS1 (0.58) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
Lithium Ion SCHEMBL987070 0.82 TBXAS1 (0.58) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL5310336 0.81 NAPRT (0.72) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL83186 0.80 RECQL (0.62) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL1283208 0.80 TBXAS1 (0.60) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002514184-A 2002-05-14 JP claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP claimed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed
WO-2023178378-A1 MIP INHIBITORS DMTC Limited (AU) 2023-09-28 WO disclosed