SCHEMBL2569575

SCHEMBL2569575

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.36
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
ABCB1 P08183 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CCKBR P32239 1/20 0.33
MCHR1 Q99705 1/20 0.33
ROCK2 O75116 1/20 0.33
CNR1 P21554 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
SCHEMBL3378613 0.92 DRD2 (0.35) F10DRD2DRD1DRD5ABCB1
SCHEMBL2572272 0.91 F10 (0.36) F10DRD2CCKBRROCK2
SCHEMBL2574027 0.91 F10 (0.36) F10DRD2CCKBRROCK2
SCHEMBL3382957 0.89 F10 (0.44) F10DRD2CCKBRMCHR1ROCK2
SCHEMBL2567354 0.89 HTT (0.38) F10NPC1RAB9ACCKBRROCK2
SCHEMBL2571974 0.88 F10 (0.38) F10CCKBRROCK2
SCHEMBL2572188 0.88 F10 (0.37) F10CCKBRROCK2
SCHEMBL2563134 0.88 CA1 (0.39) F10DRD2NPC1RAB9ACCKBR
SCHEMBL2565521 0.88 F10 (0.36) F10CCKBRROCK2
SCHEMBL2571141 0.87 CCKBR (0.38) NPC1RAB9ACCKBRROCK2

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