SCHEMBL7407355

SCHEMBL7407355

N=C(N)c1ccc2[nH]c(Cc3nc4c(OCCN5CCOCC5)cccc4[nH]3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.46
F2 P00734 2/20 0.46
F7 P08709 1/20 0.46
TPSAB1 Q15661 3/20 0.43
PRSS1 P07477 2/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42
LTA4H P09960 1/20 0.41
PDE9A O76083 2/20 0.41
PDE1A P54750 2/20 0.41
PDE1B Q01064 2/20 0.41
PDE1C Q14123 2/20 0.41
PDE5A O76074 1/20 0.41
CHUK O15111 1/20 0.40
INSR P06213 1/20 0.40
MAPK8 P45983 1/20 0.40

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
SCHEMBL7405253 0.82 F10 (0.53) F10F2F7TPSAB1PRSS1
SCHEMBL7406211 0.81 F10 (0.51) F10F2F7TPSAB1PRSS1
SCHEMBL7409109 0.81 F10 (0.51) F10F2F7TPSAB1PRSS1
SCHEMBL7406174 0.81 F10 (0.51) F10F2F7TPSAB1PRSS1
SCHEMBL7516744 0.80 F10 (0.58) F10F2F7TPSAB1PRSS1
SCHEMBL7401624 0.80 F10 (0.51) F10F2F7TPSAB1PRSS1
SCHEMBL7400743 0.80 F10 (0.53) F10F2F7TPSAB1PRSS1
SCHEMBL7409371 0.79 F10 (0.52) F10F2F7TPSAB1PRSS1
SCHEMBL7410780 0.78 F10 (0.53) F10F2F7TPSAB1PRSS1
SCHEMBL7408096 0.78 F10 (0.50) F10F2F7TPSAB1PRSS1

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
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO claimed
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed