SCHEMBL8944664

SCHEMBL8944664

c1ccc(CN2CCN(Cc3ccccc3)C(C3=NCCN3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 6/20 0.48
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
SIGMAR1 Q99720 3/20 0.42

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
SCHEMBL8944813 0.86 NISCH (0.47) NISCHMAOAMAOBSIGMAR1
SCHEMBL8944554 0.83 SIGMAR1 (0.44) SIGMAR1
SCHEMBL8944625 0.79 NISCH (0.41) NISCHSIGMAR1
SCHEMBL8944703 0.78 SIGMAR1 (0.41) SIGMAR1
SCHEMBL8944584 0.78 SIGMAR1 (0.47) NISCHMAOAMAOBSIGMAR1
SCHEMBL8944853 0.76 SIGMAR1 (0.44) NISCHSIGMAR1
SCHEMBL8944696 0.76 NISCH (0.41) NISCHSIGMAR1
SCHEMBL16226782 0.76 SIGMAR1 (0.55) SIGMAR1
SCHEMBL8944676 0.76 SIGMAR1 (0.51) NISCHMAOAMAOBSIGMAR1
SCHEMBL8944702 0.75 NISCH (0.42) NISCHSIGMAR1

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-0638568-B1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR (FR) 1996-10-09 EP disclosed
US-5500426-A ADMINISTERED TO IMPROVE GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-03-19 US disclosed
US-5492912-A IMPROVES GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-02-20 US disclosed
EP-0638568-A1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-02-15 EP disclosed