SCHEMBL5190763

SCHEMBL5190763

COc1ccc(CNC(=O)CC2CN(C(=O)NC3CCCCC3)CCN2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
PDE5A O76074 1/20 0.46
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.42
EPHX1 P07099 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL5190665 0.92 KMT2A (0.51) RXFP1GAAHPGDLMNAALDH1A1
SCHEMBL5192873 0.86 LMNA (0.47) PDE5AGAALMNAKMT2AMEN1
SCHEMBL5191071 0.86 LMNA (0.47) PDE5AGAALMNAKMT2AMEN1
SCHEMBL5278574 0.85 LMNA (0.48) PDE5AGAALMNA
SCHEMBL5213606 0.85 KMT2A (0.60) GAALMNAALDH1A1KMT2AMEN1
SCHEMBL5193999 0.81 ALDH1A1 (0.46) GAAHPGDLMNAALDH1A1POLB
SCHEMBL5193168 0.79 RAB9A (0.47) GAALMNAALDH1A1KMT2APOLB
SCHEMBL5207369 0.77 GAA (0.42) PDE5AGAALMNAALDH1A1KMT2A
SCHEMBL5190702 0.75 GAA (0.49) GAALMNAALDH1A1KMT2AMEN1
SCHEMBL5195267 0.74 ALDH1A1 (0.41) GAALMNAALDH1A1KMT2AMEN1

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