SCHEMBL2569290

SCHEMBL2569290

COCC(NC(=O)Oc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)CCN(C)CC2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.45
KDM4E B2RXH2 1/20 0.39
ROCK2 O75116 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
DRD2 P14416 1/20 0.35
HTR2C P28335 1/20 0.35
DRD3 P35462 1/20 0.35
HTR6 P50406 1/20 0.35
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

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
SCHEMBL2572458 0.95 F10 (0.49) F10KDM4EROCK2NPSR1
SCHEMBL2567203 0.94 F10 (0.42) F10KDM4EROCK2NPSR1
SCHEMBL2571261 0.92 F10 (0.48) F10ROCK2DRD2HTR2CDRD3
SCHEMBL2569787 0.92 F10 (0.38) F10ROCK2PSEN1PSEN2APH1B
SCHEMBL2571419 0.92 F10 (0.46) F10ROCK2
SCHEMBL2572516 0.91 F10 (0.39) F10ROCK2DRD2HTR2CDRD3
SCHEMBL3380131 0.90 F10 (0.39) F10ROCK2
SCHEMBL2572104 0.90 CCKBR (0.38) F10ROCK2DRD2HTR2CDRD3
SCHEMBL3382957 0.90 F10 (0.44) F10KDM4EROCK2DRD2HTR2C
SCHEMBL2574207 0.89 CCKBR (0.38) F10KDM4EROCK2NPSR1PSEN1

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