SCHEMBL6965589

SCHEMBL6965589

Cc1cc(C(N)=NCc2ccc(Cl)cc2)ccc1Cc1c[nH]cn1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.44
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
GRIN1 Q05586 2/20 0.37
TAAR1 Q96RJ0 2/20 0.35
F10 P00742 1/20 0.34

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
SCHEMBL6972377 0.87 GRIN2B (0.42) GRIN2BGRIN1
SCHEMBL6958768 0.87 GRIN2B (0.42) GRIN2BATP4AATP4BGRIN1TAAR1
SCHEMBL6955812 0.85 GRIN2B (0.55) GRIN2BGRIN1TAAR1
SCHEMBL6968291 0.85 GRIN2B (0.42) GRIN2BGRIN1
SCHEMBL6970991 0.83 GRIN2B (0.51) GRIN2BGRIN1TAAR1
SCHEMBL6968091 0.80 GRIN2B (0.53) GRIN2BGRIN1TAAR1
SCHEMBL6968016 0.75 GRIN2B (0.37) GRIN2BATP4AATP4BGRIN1TAAR1
SCHEMBL6973014 0.75 GRIN2B (0.55) GRIN2BGRIN1
SCHEMBL6972175 0.74 TAAR1 (0.40) GRIN2BATP4AATP4BGRIN1TAAR1
SCHEMBL6973872 0.74 GRIN2B (0.40) GRIN2BGRIN1

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
EP-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed
EP-0729459-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1996-09-04 EP disclosed
WO-1995014007-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1995-05-26 WO disclosed