SCHEMBL2574255

SCHEMBL2574255

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.34
KDM4E B2RXH2 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
ROCK2 O75116 3/20 0.34
CCKBR P32239 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 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
SCHEMBL2571455 0.95 L3MBTL1 (0.38) F10KDM4EPSEN1PSEN2APH1B
SCHEMBL2571489 0.95 L3MBTL1 (0.36) F10KDM4EPSEN1PSEN2APH1B
SCHEMBL2568508 0.94 F10 (0.35) F10KDM4EPSEN1PSEN2APH1B
SCHEMBL2565436 0.93 CCKBR (0.38) F10KDM4EPSEN1PSEN2APH1B
SCHEMBL2567570 0.90 CCKBR (0.37) F10KDM4EPSEN1PSEN2APH1B
SCHEMBL2566723 0.90 CCKBR (0.37) F10KDM4EPSEN1PSEN2APH1B
SCHEMBL3380237 0.90 CCKBR (0.35) F10KDM4EPSEN1PSEN2APH1B
SCHEMBL2574207 0.89 CCKBR (0.38) F10KDM4EPSEN1PSEN2APH1B
SCHEMBL2572758 0.88 F10 (0.35) F10PSEN1PSEN2APH1BNCSTN
SCHEMBL3031210 0.88 F10 (0.46) F10KMT2A

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