SCHEMBL5223424

SCHEMBL5223424

COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OC(F)(F)F)c2)N1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.66
CCKBR P32239 2/20 0.64
KDM4E B2RXH2 4/20 0.59
HSD17B10 Q99714 3/20 0.59
TSHR P16473 2/20 0.59
HTT P42858 1/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.54
ALOX12 P18054 1/20 0.54
CYP2D6 P10635 3/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KIF11 P52732 2/20 0.51
ALOX15 P16050 2/20 0.47
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL5028988 0.90 PDE5A (0.67) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL17760639 0.89 PDE5A (0.71) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL1922143 0.89 PDE5A (0.71) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL1196202 0.86 PDE5A (0.53) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL21310005 0.84 PDE5A (0.70) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL5029011 0.84 PDE5A (0.70) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL4033799 0.84 PDE5A (0.73) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL1197087 0.84 PDE5A (0.73) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL1922013 0.84 CCKBR (0.78) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL1195763 0.84 PDE5A (0.73) PDE5ACCKBRKDM4EHSD17B10TSHR

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-1844046-A1 NOVEL INDOLOPYRIDINES, BENZOFURANOPYRIDINES AND BENZOTHIENOPYRIDINES Nycomed GmbH (DE) 2007-10-17 EP disclosed
WO-2006079645-A1 NOVEL INDOLOPYRIDINES , BENZOFURANOPYRIDINES AND BENZOTHIENOPYRIDINES NYCOMED GMBH (DE) 2006-08-03 WO disclosed