SCHEMBL7081571

SCHEMBL7081571

CCCC(Oc1ccc2ccnc(N)c2c1)C(=O)Nc1ccc(-c2cccc(C#N)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.48
PSEN2 P49810 4/20 0.48
APH1B Q8WW43 4/20 0.48
NCSTN Q92542 4/20 0.48
APH1A Q96BI3 4/20 0.48
PSENEN Q9NZ42 4/20 0.48
F9 P00740 2/20 0.44
PLAU P00749 2/20 0.42
F10 P00742 2/20 0.42
PRKDC P78527 1/20 0.41
ATR Q13535 1/20 0.41
CTPS1 P17812 1/20 0.41
KDR P35968 1/20 0.40
GRM5 P41594 1/20 0.38
ADORA2A P29274 1/20 0.38
MCHR1 Q99705 3/20 0.38

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
SCHEMBL7075541 0.85 F10 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7082839 0.79 F10 (0.53) F10
SCHEMBL7076322 0.79 F10 (0.51) F10
SCHEMBL2073671 0.77 F9 (0.44) F9PLAUF10
SCHEMBL7135037 0.76 F10 (0.48) F10
SCHEMBL5407681 0.75 MAPT (0.44) F9F10
Trifluoroacetic Acid SCHEMBL7080631 0.74 F10 (0.56) F10
SCHEMBL7079506 0.74 F10 (0.50) F10
SCHEMBL2070976 0.74 F10 (0.41) F9F10
SCHEMBL2070901 0.73 F10 (0.51) F9F10

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-1322618-A1 AMINO HETEROCYCLIC COMPOUNDS (FACTOR X A? INHIBITORS 14) MERCK PATENT GmbH (DE) 2003-07-02 EP disclosed
WO-2002024654-A1 AMINO HETEROCYCLIC COMPOUNDS (FACTOR XA INHIBITORS 14) MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed