SCHEMBL8944840

SCHEMBL8944840

CC1CN=C(C2CN(C)CCN2Cc2ccc(Cl)cc2Cl)N1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2A13 Q16696 1/20 0.36
IDO1 P14902 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
P2RX7 Q99572 5/20 0.35
MAPK1 P28482 1/20 0.34
CCR4 P51679 1/20 0.34

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
SCHEMBL2387265 0.82 KDM4E (0.44) KDM4ETDP1POLBALDH1A1CYP2A13
SCHEMBL8944590 0.80 KDM4E (0.45) KDM4ETDP1POLBALDH1A1CYP2A13
SCHEMBL9036092 0.77 KDM4E (0.45) KDM4ETDP1POLBALDH1A1CYP2A13
SCHEMBL8944853 0.70 SIGMAR1 (0.44) KDM4ETDP1POLBALDH1A1CYP2A13
SCHEMBL8944545 0.69 KDM4E (0.46) KDM4ETDP1POLBALDH1A1CYP2A13
SCHEMBL29604869 0.69 KDM4E (0.42) KDM4ETDP1POLBALDH1A1CYP2A13
SCHEMBL8944755 0.68 LMNA (0.40)
SCHEMBL9036088 0.68 KDM4E (0.45) KDM4ETDP1POLBALDH1A1CYP2A13
SCHEMBL8944702 0.66 NISCH (0.42) SIGMAR1
SCHEMBL8944705 0.66 TSHR (0.56) KDM4ETDP1POLBALDH1A1P2RX7

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