SCHEMBL5724779

SCHEMBL5724779

Cc1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OC(C(=O)OC(C)(C)C)C2CCCNC2)c1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 13/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL5724546 0.92 NPC1 (0.47) F10KDM4ENPC1RAB9A
SCHEMBL5724269 0.91 F10 (0.36) F10KDM4ENPC1RAB9A
SCHEMBL5724442 0.90 F10 (0.36) F10NPC1RAB9A
SCHEMBL5724573 0.90 F10 (0.38) F10KDM4E
SCHEMBL4270026 0.87 F10 (0.40) F10KDM4ENPC1RAB9A
SCHEMBL5724434 0.86 F10 (0.37) F10NPC1RAB9A
SCHEMBL5200573 0.86 F10 (0.42) F10
SCHEMBL4280035 0.85 NPC1 (0.50) F10KDM4ENPC1RAB9A
SCHEMBL4270700 0.85 F10 (0.41) F10KDM4ENPC1RAB9A
SCHEMBL5724627 0.83 F10 (0.41) F10KDM4ENPC1RAB9A

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-1644334-A1 ANTITHROMBOTIC ETHERS Eli Lilly and Company (US) 2006-04-12 — — EP disclosed
WO-2004108677-A1 ANTITHROMBOTIC ETHERS ELI LILLY AND COMPANY (US) 2004-12-16 — — WO disclosed
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