SCHEMBL5191071

SCHEMBL5191071

COc1ccc(CNC(=O)CC2CN(C(C)=O)CCN2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.44
PDE5A O76074 9/20 0.41
PDE6D O43924 1/20 0.41
PDE6A P16499 1/20 0.41
PDE6G P18545 1/20 0.41
PDE6B P35913 1/20 0.41
PDE6C P51160 1/20 0.41
PDE6H Q13956 1/20 0.41
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5192873 0.92 LMNA (0.47) LMNAGAAMAPTPDE5AFPR3
SCHEMBL5278574 0.88 LMNA (0.48) LMNAGAAPDE5AFPR3FPR2
SCHEMBL5193999 0.87 ALDH1A1 (0.46) LMNAGAAMAPT
SCHEMBL5190763 0.86 RXFP1 (0.46) LMNAGAAPDE5AMEN1KMT2A
SCHEMBL5193168 0.85 RAB9A (0.47) LMNAGAAKMT2A
SCHEMBL5207369 0.83 GAA (0.42) LMNAGAAPDE5AKMT2A
SCHEMBL5193468 0.82 ALDH1A1 (0.52) LMNAMAPTMEN1KMT2A
SCHEMBL5190702 0.81 GAA (0.49) LMNAGAAMEN1KMT2A
SCHEMBL5190900 0.79 POLB (0.49) GAAMAPTPDE5AKMT2A
SCHEMBL5195267 0.78 ALDH1A1 (0.41) LMNAGAAMEN1KMT2A

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