SCHEMBL9128285

SCHEMBL9128285

N=C(Cc1ccccc1)Nc1ncccc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 19/20 0.62
▸ PPIF P30405 1/20 0.52
▸ GRM5 P41594 1/20 0.50

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
SCHEMBL9122625 0.94 PPIA (0.56) PPIAPPIF
Hydrochloric Acid SCHEMBL9122353 0.93 PPIA (0.55) PPIAPPIF
Hydrochloric Acid SCHEMBL9126271 0.91 PPIA (0.53) PPIAPPIFGRM5
Hydrochloric Acid SCHEMBL9125189 0.91 PPIA (0.53) PPIAPPIFGRM5
Hydrochloric Acid SCHEMBL9123728 0.86 PPIA (0.48) PPIAPPIF
SCHEMBL9128491 0.86 PPIA (0.48) PPIAPPIF
Hydrochloric Acid SCHEMBL9125854 0.85 PPIA (0.47) PPIAGRM5
Hydrochloric Acid SCHEMBL9125163 0.85 PPIA (0.54) PPIAPPIF
Hydrochloric Acid SCHEMBL9124719 0.85 PPIA (0.54) PPIAPPIFGRM5
Hydrochloric Acid SCHEMBL9126773 0.85 PPIA (0.48) PPIAPPIFGRM5

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
US-5409943-A [(alkoxy)pyridinyl]amine compounds which are useful in the treatment of gastrointestinal disorders SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-04-25 — — US disclosed
EP-0625143-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 — — EP disclosed
WO-1993015055-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 — — WO disclosed
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