SCHEMBL7425868

SCHEMBL7425868

Nc1nccc2cc(CNC(=O)[C@@H]3CCCN3C(=O)[C@H](N)Cc3c[nH]c4ccccc34)ccc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F11 P03951 10/20 0.58
F2 P00734 6/20 0.58
DPP4 P27487 2/20 0.53
MC4R P32245 2/20 0.45
MC1R Q01726 2/20 0.45
MC3R P41968 1/20 0.45
DPP3 Q9NY33 1/20 0.45
F10 P00742 3/20 0.45
F12 P00748 3/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
F7 P08709 3/20 0.45
PRSS3 P35030 3/20 0.45
F9 P00740 1/20 0.45
AKT1 P31749 1/20 0.44

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
SCHEMBL7702655 0.88 F11 (0.65) F11F2F10F12PRSS1
SCHEMBL6438985 0.86 F2 (0.56) F11F2DPP3
SCHEMBL6438987 0.86 F2 (0.56) F11F2DPP3
SCHEMBL24645591 0.83 F11 (0.63) F11F2F10F12PRSS1
SCHEMBL21429784 0.83 F11 (0.63) F11F2F10F12PRSS1
Trifluoroacetic Acid SCHEMBL27886446 0.81 F11 (0.62) F11F2DPP4F10F12
SCHEMBL29498112 0.79 DPP4 (0.65) DPP4MC4RMC1RMC3RDPP3
SCHEMBL3973366 0.79 F11 (0.67) F11F2F10F12PRSS1
SCHEMBL29481406 0.78 F11 (0.56) F11F2F10F12PRSS1
SCHEMBL23013213 0.78 F11 (0.56) F11F2F10F12PRSS1

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-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 WO disclosed