SCHEMBL2570026

SCHEMBL2570026

CN1CCc2ccc(NC(=O)C(CC(=O)N(C)C)NC(=O)Oc3ccc(Cl)s3)cc2CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
ROCK2 O75116 1/20 0.34
CCKBR P32239 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33
HTR6 P50406 1/20 0.33
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

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
SCHEMBL3380733 0.92 CCKBR (0.37) F10CA12CA1CA2CA4
SCHEMBL2572104 0.90 CCKBR (0.38) F10CA12CA1CA2CA4
SCHEMBL3382520 0.90 F10 (0.37) F10CA12CA1CA2CA4
SCHEMBL2569290 0.88 F10 (0.45) F10ROCK2DRD2HTR2CDRD3
SCHEMBL2571419 0.87 F10 (0.46) F10ROCK2
SCHEMBL3382957 0.87 F10 (0.44) F10ROCK2CCKBRDRD2HTR2C
SCHEMBL2571911 0.87 F10 (0.35) F10ROCK2CCKBRDRD2HTR2C
SCHEMBL2569424 0.86 CCKBR (0.39) F10CA12CA1CA2CA4
SCHEMBL2571974 0.86 F10 (0.38) F10ROCK2CCKBR
SCHEMBL3032017 0.86 F10 (0.46) 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