SCHEMBL11547773

SCHEMBL11547773

CNC(=O)c1ccc(OCCN)nc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.48
BAZ2B Q9UIF8 1/20 0.47
MAPT P10636 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
PLK1 P53350 2/20 0.45
EPHX2 P34913 2/20 0.44
NNMT P40261 1/20 0.44
CXCR1 P25024 1/20 0.43
CXCR2 P25025 1/20 0.43
GRM5 P41594 1/20 0.43

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
SCHEMBL1092049 0.86 PLK1 (0.62) GABRA5BAZ2BMAPTOPRM1OPRD1
SCHEMBL23834894 0.86 GABRA5 (0.52) GABRA5BAZ2BMAPTOPRM1OPRD1
SCHEMBL4843142 0.83 MAPK1 (0.54) GABRA5MAPTNNMT
SCHEMBL1091622 0.83 MAPT (0.68) GABRA5BAZ2BMAPTOPRM1OPRD1
SCHEMBL15647035 0.81 GABRA5 (0.50) GABRA5BAZ2BMAPTOPRM1OPRD1
SCHEMBL11551255 0.81 NNMT (0.62) MAPTOPRM1OPRD1NNMT
SCHEMBL14516103 0.79 NNMT (0.64) GABRA5BAZ2BMAPTOPRM1OPRD1
SCHEMBL13702416 0.78 L3MBTL1 (0.68) GABRA5MAPTEPHX2
Hydrochloric Acid SCHEMBL12502696 0.76 PLK1 (0.71) MAPTPLK1
SCHEMBL13702364 0.75 CD274 (0.53) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 US disclosed
US-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 US disclosed