SCHEMBL2568508

SCHEMBL2568508

COC(=O)CC(=O)NC[C@@H](NC(=O)Oc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)CCN(C)CC2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.35
ROCK2 O75116 3/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CCKBR P32239 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2C P28335 1/20 0.32
DRD3 P35462 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL2574255 0.94 F10 (0.34) F10ROCK2PSEN1PSEN2APH1B
SCHEMBL3380237 0.93 CCKBR (0.35) F10ROCK2PSEN1PSEN2APH1B
SCHEMBL2571455 0.92 L3MBTL1 (0.38) F10ROCK2PSEN1PSEN2APH1B
SCHEMBL2571489 0.92 L3MBTL1 (0.36) F10ROCK2PSEN1PSEN2APH1B
SCHEMBL2572758 0.90 F10 (0.35) F10ROCK2PSEN1PSEN2APH1B
SCHEMBL2565436 0.89 CCKBR (0.38) F10ROCK2PSEN1PSEN2APH1B
SCHEMBL2567570 0.88 CCKBR (0.37) F10ROCK2PSEN1PSEN2APH1B
SCHEMBL2566723 0.88 CCKBR (0.37) F10ROCK2PSEN1PSEN2APH1B
SCHEMBL3378613 0.88 DRD2 (0.35) F10ROCK2DRD2HTR2CDRD3
SCHEMBL3032739 0.88 F10 (0.47) F10

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-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed