SCHEMBL8944676

SCHEMBL8944676

c1ccc(CN2CCN(Cc3ccccc3)C(CCC3=NCCN3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
NISCH Q9Y2I1 1/20 0.50
LMNA P02545 2/20 0.49
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 2/20 0.47
GAA P10253 1/20 0.45

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
SCHEMBL8944584 0.88 SIGMAR1 (0.47) SIGMAR1MAOAMAOBNISCHLMNA
SCHEMBL5557549 0.81 SIGMAR1 (0.68) SIGMAR1LMNAALDH1A1MEN1KMT2A
SCHEMBL5557553 0.81 SIGMAR1 (0.68) SIGMAR1LMNAALDH1A1MEN1KMT2A
SCHEMBL5556913 0.79 SIGMAR1 (0.60) SIGMAR1LMNAALDH1A1MEN1KMT2A
SCHEMBL5556907 0.79 SIGMAR1 (0.60) SIGMAR1LMNAALDH1A1MEN1KMT2A
SCHEMBL5557798 0.77 KMT2A (0.55) SIGMAR1LMNAALDH1A1MEN1KMT2A
SCHEMBL5557786 0.77 KMT2A (0.55) SIGMAR1LMNAALDH1A1MEN1KMT2A
SCHEMBL5558858 0.77 ALDH1A1 (0.62) SIGMAR1LMNAALDH1A1MEN1KMT2A
SCHEMBL5564360 0.77 ALDH1A1 (0.62) SIGMAR1LMNAALDH1A1MEN1KMT2A
SCHEMBL8944664 0.76 NISCH (0.48) SIGMAR1MAOAMAOBNISCH

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