SCHEMBL3380237

SCHEMBL3380237

CN1CCc2ccc(NC(=O)[C@@H](CNC(=O)CC(=O)O)NC(=O)Oc3ccc(Cl)s3)cc2CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.35
F10 P00742 10/20 0.34
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
ROCK2 O75116 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
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL2565436 0.94 CCKBR (0.38) CCKBRF10PSEN1PSEN2APH1B
SCHEMBL2568508 0.93 F10 (0.35) CCKBRF10PSEN1PSEN2APH1B
SCHEMBL2566723 0.92 CCKBR (0.37) CCKBRF10PSEN1PSEN2APH1B
SCHEMBL2567570 0.92 CCKBR (0.37) CCKBRF10PSEN1PSEN2APH1B
SCHEMBL2572758 0.91 F10 (0.35) F10PSEN1PSEN2APH1BNCSTN
SCHEMBL2574255 0.90 F10 (0.34) CCKBRF10PSEN1PSEN2APH1B
SCHEMBL2572104 0.89 CCKBR (0.38) CCKBRF10PSEN1PSEN2APH1B
SCHEMBL2569708 0.89 ROCK2 (0.39) ROCK2
SCHEMBL3378613 0.88 DRD2 (0.35) F10ROCK2DRD2HTR2CDRD3
SCHEMBL2571455 0.88 L3MBTL1 (0.38) CCKBRF10PSEN1PSEN2APH1B

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