SCHEMBL3378613

SCHEMBL3378613

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
F10 P00742 11/20 0.34
ABCB1 P08183 1/20 0.34
MCHR1 Q99705 1/20 0.34
ROCK2 O75116 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33
HTR6 P50406 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

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
SCHEMBL2569575 0.92 F10 (0.36) DRD2DRD1DRD5F10ABCB1
SCHEMBL2572758 0.91 F10 (0.35) DRD2F10ROCK2HTR2CDRD3
SCHEMBL2569505 0.90 NPC1 (0.37) DRD2DRD1DRD5ABCB1MCHR1
SCHEMBL3380237 0.88 CCKBR (0.35) DRD2F10ROCK2HTR2CDRD3
SCHEMBL2580055 0.88 CA1 (0.40) DRD2F10ROCK2NPC1RAB9A
SCHEMBL2568508 0.88 F10 (0.35) DRD2F10ROCK2HTR2CDRD3
SCHEMBL3382957 0.87 F10 (0.44) DRD2F10MCHR1ROCK2HTR2C
SCHEMBL2569708 0.87 ROCK2 (0.39) ROCK2NPC1RAB9A
SCHEMBL2565436 0.87 CCKBR (0.38) F10ROCK2POLB
SCHEMBL3032186 0.86 F10 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed