SCHEMBL8944584

SCHEMBL8944584

c1ccc(CN2CCN(Cc3ccccc3)C(CC3=NCCN3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
NISCH Q9Y2I1 1/20 0.46

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
SCHEMBL8944676 0.88 SIGMAR1 (0.51) SIGMAR1TAAR1LMNAMAOAMAOB
SCHEMBL8944664 0.78 NISCH (0.48) SIGMAR1MAOAMAOBNISCH
SCHEMBL8944758 0.76 SIGMAR1 (0.47) SIGMAR1LMNA
SCHEMBL21315846 0.74 SIGMAR1 (0.59) SIGMAR1LMNA
SCHEMBL124097 0.74 SIGMAR1 (0.59) SIGMAR1LMNA
SCHEMBL2458948 0.73 LMNA (0.59) SIGMAR1LMNA
SCHEMBL5561055 0.73 SIGMAR1 (0.61) SIGMAR1LMNA
SCHEMBL3317019 0.73 LMNA (0.59) SIGMAR1LMNA
SCHEMBL65364 0.73 SIGMAR1 (0.78) SIGMAR1LMNA
SCHEMBL5562968 0.73 SIGMAR1 (0.61) SIGMAR1LMNA

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