SCHEMBL2569424

SCHEMBL2569424

CN1CCc2ccc(NC(=O)[C@@H](CCC(=O)N(C)CCC(=O)O)NC(=O)Oc3ccc(Cl)s3)cc2CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.39
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
F10 P00742 9/20 0.33
MMP2 P08253 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
ROCK2 O75116 1/20 0.32
POLB P06746 1/20 0.32
MCHR1 Q99705 1/20 0.31

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
SCHEMBL2572736 0.96 CCKBR (0.38) CCKBRALDH1A1KDM4EGAAF10
SCHEMBL2571203 0.94 F10 (0.34) CCKBRALDH1A1KDM4EGAAF10
SCHEMBL2567238 0.94 CCKBR (0.38) CCKBRALDH1A1F10MMP2CA12
SCHEMBL3380733 0.91 CCKBR (0.37) CCKBRALDH1A1F10CA12CA1
SCHEMBL2571105 0.91 KDM4E (0.34) CCKBRALDH1A1KDM4EGAAF10
SCHEMBL3382049 0.90 CCKBR (0.35) CCKBRALDH1A1KDM4EF10ROCK2
SCHEMBL2568293 0.89 CCKBR (0.40) CCKBRF10CA12CA1CA2
SCHEMBL2566201 0.88 CCKBR (0.40) CCKBRF10ROCK2
SCHEMBL3034264 0.88 CCKBR (0.45) CCKBRF10
SCHEMBL2572104 0.87 CCKBR (0.38) CCKBRF10CA12CA1CA2

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