SCHEMBL5191879

SCHEMBL5191879

CCCNC(=O)N1CCN(C2CC2)C(CC(N)=O)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
KMT2A Q03164 4/20 0.37
CYP2C19 P33261 2/20 0.37
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 2/20 0.34
CYP2C9 P11712 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
CHRM1 P11229 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32

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
SCHEMBL5193908 0.72 LMNA (0.42) LMNAKMT2ACYP2C19NPSR1MEN1
SCHEMBL20034965 0.68 LMNA (0.57) LMNAKMT2ACYP2C19NPSR1TDP1
SCHEMBL5190982 0.68 CYP2C19 (0.39) LMNAKMT2ACYP2C19NPSR1MEN1
SCHEMBL1564353 0.67 KMT2A (0.55) LMNAKMT2ACYP2C19NPSR1TDP1
SCHEMBL5195326 0.66 LMNA (0.39) LMNAKMT2ACYP2C19
SCHEMBL4579499 0.65 CYP2C19 (0.51) LMNAKMT2ACYP2C19NPSR1TDP1
SCHEMBL1576048 0.64 LMNA (0.52) LMNAKMT2ACYP2C19NPSR1TDP1
SCHEMBL10272740 0.64 TDP1 (0.62) LMNAKMT2ACYP2C19NPSR1TDP1
SCHEMBL1564349 0.64 CYP2C19 (0.56) LMNAKMT2ACYP2C19NPSR1TDP1
SCHEMBL4089086 0.64 LMNA (0.51) LMNAKMT2ACYP2C19NPSR1TDP1

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