SCHEMBL7801672

SCHEMBL7801672

O=C(O)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.85
CYSLTR1 Q9Y271 9/20 0.81
CYSLTR2 Q9NS75 3/20 0.65
PDE10A Q9Y233 1/20 0.63

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
SCHEMBL7801642 0.97 GPBAR1 (0.81) GPBAR1CYSLTR1
SCHEMBL421067 0.92 GPBAR1 (1.00) GPBAR1CYSLTR1CYSLTR2PDE10A
SCHEMBL9581618 0.90 GPBAR1 (0.97) GPBAR1CYSLTR1CYSLTR2PDE10A
SCHEMBL9581634 0.90 GPBAR1 (0.97) GPBAR1CYSLTR1CYSLTR2PDE10A
SCHEMBL8736537 0.90 CYSLTR1 (0.82) GPBAR1CYSLTR1CYSLTR2
SCHEMBL422355 0.89 CYSLTR1 (1.00) GPBAR1CYSLTR1CYSLTR2
SCHEMBL30444017 0.89 CYSLTR1 (1.00) GPBAR1CYSLTR1CYSLTR2
SCHEMBL26632676 0.88 GPBAR1 (0.92) GPBAR1CYSLTR1CYSLTR2PDE10A
Hydrochloric Acid SCHEMBL7006935 0.88 CYSLTR1 (0.97) GPBAR1CYSLTR1CYSLTR2
SCHEMBL9023100 0.88 CYSLTR1 (0.78) GPBAR1CYSLTR1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775133-B1 NAPHTHALENE AMIDES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION MENARINI LAB (ES) 2001-05-30 EP disclosed
EP-0775133-A1 NAPHTHALENE AMIDES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-05-28 EP disclosed
WO-1996004267-A1 NAPHTHALENE AMIDES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1996-02-15 WO disclosed