SCHEMBL5190900

SCHEMBL5190900

COc1ccc(CNC(=O)CC2CN(Cc3cccnc3)CCN2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
HTR4 Q13639 1/20 0.46
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
NAMPT P43490 1/20 0.44
ACHE P22303 1/20 0.43
PDE5A O76074 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL5195331 0.87 GAA (0.49) POLBGAAKMT2AMAPTALDH1A1
SCHEMBL5193335 0.82 SMN1; SMN2 (0.49) POLBNAMPTGAAKMT2ATDP1
SCHEMBL5191071 0.79 LMNA (0.47) PDE5AGAAKMT2AMAPT
SCHEMBL5192873 0.79 LMNA (0.47) PDE5AGAAKMT2AMAPT
SCHEMBL5193168 0.78 RAB9A (0.47) POLBGAAKMT2AL3MBTL1ALDH1A1
SCHEMBL5191525 0.76 NOS2 (0.57)
SCHEMBL5278574 0.76 LMNA (0.48) PDE5AGAANPC1
SCHEMBL5207369 0.76 GAA (0.42) POLBPDE5AGAAKMT2AL3MBTL1
SCHEMBL5193999 0.75 ALDH1A1 (0.46) POLBGAAMAPTALDH1A1NPC1
SCHEMBL5190702 0.74 GAA (0.49) GAAKMT2AALDH1A1

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