SCHEMBL8734356

SCHEMBL8734356

CC(C)(CN=S(=O)=O)c1ccc(C(=O)O)cc1.c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.68
GPBAR1 Q8TDU6 3/20 0.65
PDE10A Q9Y233 1/20 0.52

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
SCHEMBL8736537 0.81 CYSLTR1 (0.82) CYSLTR1GPBAR1
SCHEMBL8734145 0.81 CYSLTR1 (1.00) CYSLTR1GPBAR1
SCHEMBL7801642 0.81 GPBAR1 (0.81) CYSLTR1GPBAR1
SCHEMBL7801672 0.81 GPBAR1 (0.85) CYSLTR1GPBAR1PDE10A
SCHEMBL421067 0.81 GPBAR1 (1.00) CYSLTR1GPBAR1PDE10A
SCHEMBL9581634 0.79 GPBAR1 (0.97) CYSLTR1GPBAR1PDE10A
SCHEMBL9581618 0.79 GPBAR1 (0.97) CYSLTR1GPBAR1PDE10A
SCHEMBL8735687 0.77 GPBAR1 (0.74) CYSLTR1GPBAR1
SCHEMBL26632676 0.77 GPBAR1 (0.92) CYSLTR1GPBAR1PDE10A
SCHEMBL9335358 0.77 GPBAR1 (0.60) CYSLTR1GPBAR1PDE10A

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-0874826-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1998-11-04 EP disclosed
WO-1997024331-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-07-10 WO disclosed