SCHEMBL5193908

SCHEMBL5193908

CCCNC(=O)N1CCN(Cc2ccc(Cl)cc2)C(CC(N)=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.41
CCR2 P41597 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM4 P08173 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NR1D1 P20393 2/20 0.37
GAA P10253 1/20 0.37
NR1H3 Q13133 1/20 0.37
NR1D2 Q14995 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
CYP2C19 P33261 1/20 0.36
DPP7 Q9UHL4 2/20 0.36
DPP4 P27487 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
SCHEMBL5278583 0.86 LMNA (0.44) LMNAMAPK1
SCHEMBL5191215 0.81 FAAH (0.60) LMNA
SCHEMBL5194848 0.78 OPRK1 (0.46) LMNAKMT2AGAACYP2C19
SCHEMBL5214033 0.78 SIGMAR1 (0.49) GAA
SCHEMBL5194076 0.77 ALDH1A1 (0.44) LMNAMEN1KMT2ANPSR1GAA
SCHEMBL5193442 0.74 MAPT (0.55) CCR2MEN1KMT2A
SCHEMBL5191582 0.73 TP53 (0.56) LMNACCR2MEN1KMT2A
SCHEMBL5191879 0.72 LMNA (0.52) LMNAMEN1KMT2ANPSR1CYP2C19
SCHEMBL5192044 0.72 KDM4E (0.48) LMNAMAPK1MEN1KMT2ANPSR1
SCHEMBL5194086 0.71 FAAH (0.62) MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP claimed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP claimed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO claimed