SCHEMBL8944625

SCHEMBL8944625

CN1CCN(Cc2ccccc2)C(C2=NCCCN2)C1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MC4R P32245 1/20 0.38
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
MAPK1 P28482 1/20 0.36

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 0.93 NISCH (0.47) NISCHSIGMAR1
SCHEMBL8944702 0.82 NISCH (0.42) NISCHSIGMAR1
SCHEMBL8944755 0.79 LMNA (0.40) NISCH
SCHEMBL8944664 0.79 NISCH (0.48) NISCHSIGMAR1
SCHEMBL8944697 0.78 HTR1B (0.49) NISCHSIGMAR1
SCHEMBL8944498 0.78 TAAR1 (0.42) NISCH
SCHEMBL8944628 0.78 ADRA2A (0.41) NISCH
SCHEMBL8944681 0.77 MAPK1 (0.43) NISCHMAPK1
SCHEMBL8944556 0.75 GAA (0.45) MAPK1
SCHEMBL8944902 0.75 CYP2A13 (0.39) NISCH

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