SCHEMBL943040

SCHEMBL943040

NCNC(=O)C1CCCN1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.58
HTR2C P28335 6/20 0.50
HTR2B P41595 3/20 0.50
NOS2 P35228 2/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
TLR2 O60603 2/20 0.45
TERT O14746 1/20 0.45
DPP7 Q9UHL4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTR2A P28223 1/20 0.41

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
SCHEMBL7067527 0.87 PRCP (0.62) PRCPHTR2CHTR2BNOS2NOS3
SCHEMBL5493700 0.87 PRCP (0.62) PRCPHTR2CHTR2BNOS2NOS3
SCHEMBL12990763 0.87 PRCP (0.62) PRCPHTR2CHTR2BNOS2NOS3
SCHEMBL15329272 0.86 PRCP (0.70) PRCPHTR2CHTR2BNOS2TLR2
SCHEMBL616732 0.84 PRCP (0.68) PRCPHTR2CHTR2BTLR2TERT
SCHEMBL615383 0.84 PRCP (0.68) PRCPHTR2CHTR2BTLR2TERT
SCHEMBL496387 0.84 PRCP (0.68) PRCPHTR2CHTR2BTLR2TERT
SCHEMBL8548319 0.84 PRCP (0.68) PRCPHTR2CHTR2BNOS2TLR2
SCHEMBL5498791 0.84 PRCP (0.68) PRCPHTR2CHTR2BNOS2TLR2
SCHEMBL2197361 0.83 PRCP (0.54) PRCPHTR2CHTR2BNOS2NOS3

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
EP-2448935-A1 SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS Novartis AG (CH) 2012-05-09 EP disclosed
WO-2011000905-A1 SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS NOVARTIS AG (CH) 2011-01-06 WO disclosed