SCHEMBL8944681

SCHEMBL8944681

CN1CCN(Cc2ccccc2F)C(C2=NCCN2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NISCH Q9Y2I1 4/20 0.39
KMT2A Q03164 1/20 0.38
RORC P51449 1/20 0.37

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
SCHEMBL8944628 0.87 ADRA2A (0.41) ALDH1A1MAPTNISCHKMT2A
SCHEMBL8944755 0.86 LMNA (0.40) NISCHKMT2A
SCHEMBL8944841 0.86 KDM4E (0.45) MAPK1POLBKDM4EALDH1A1MAPT
SCHEMBL8944556 0.84 GAA (0.45) MAPK1POLBKDM4EALDH1A1CYP2D6
SCHEMBL8944813 0.83 NISCH (0.47) NISCH
SCHEMBL8944902 0.82 CYP2A13 (0.39) POLBKDM4EALDH1A1NISCH
SCHEMBL8944530 0.80 ALDH1A1 (0.46) KDM4EALDH1A1MAPTNISCHKMT2A
SCHEMBL8944498 0.78 TAAR1 (0.42) NISCH
SCHEMBL2387265 0.78 KDM4E (0.44) POLBKDM4EALDH1A1NISCH
SCHEMBL8944702 0.78 NISCH (0.42) 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