SCHEMBL2370161

SCHEMBL2370161

c1c(N2CCOCC2)sc2c1CNCC2

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.53
PRKDC P78527 8/20 0.47
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
CA2 P00918 1/20 0.36
HTR2C P28335 1/20 0.36
AR P10275 2/20 0.36

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
SCHEMBL6423315 0.73 TPSAB1 (0.61) PNMTTPSAB1TPSD1TPSG1
SCHEMBL1423130 0.70 HRH3 (0.53) PNMT
SCHEMBL6424327 0.70 PNMT (1.00) PNMTTPSAB1TPSD1TPSG1
SCHEMBL17385378 0.68 PRKDC (0.45) PRKDC
SCHEMBL1010536 0.68 IGF1R (0.54) PNMTHTR2C
SCHEMBL1011359 0.68 ASIC3 (0.59) PNMTHTR2C
SCHEMBL31083767 0.68 ASIC3 (0.59) PNMTHTR2C
SCHEMBL21236155 0.68 PNMT (0.63) PNMTTPSAB1TPSD1TPSG1
SCHEMBL12339924 0.67 PNMT (0.49) PNMTTPSAB1TPSD1TPSG1
SCHEMBL3441396 0.67 PNMT (0.49) PNMTTPSAB1TPSD1TPSG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014141035-A2 FUSED HETEROCYCLYL DERIVATIVES AS NAMPT INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-09-18 WO disclosed
EP-2545059-A1 A PROCESS FOR MAKING PRASUGREL Synthon BV (NL) 2013-01-16 EP disclosed
WO-2011110219-A1 A PROCESS FOR MAKING PRASUGREL SYNTHON BV (NL) 2011-09-15 WO disclosed
WO-2011110219-A1 A PROCESS FOR MAKING PRASUGREL SYNTHON BV (NL) 2011-09-15 WO disclosed