SCHEMBL5672352

SCHEMBL5672352

CC(=O)NC1=NCCCN1c1ccc(NC(=O)C(NC(=O)c2ccc(Cl)s2)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.64
▸ EP300 Q09472 1/20 0.37

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
SCHEMBL5670109 0.90 F10 (0.61) F10
SCHEMBL5669867 0.80 F10 (0.64) F10EP300
SCHEMBL5569229 0.80 MAPT (0.44) F10
SCHEMBL4741434 0.74 F10 (0.69) F10
SCHEMBL5672305 0.73 F10 (0.59) F10
SCHEMBL5672580 0.73 F10 (0.56) F10
SCHEMBL3028095 0.72 F10 (0.57) F10EP300
SCHEMBL8251273 0.72 F10 (0.57) F10EP300
SCHEMBL5669932 0.72 F10 (0.57) F10
SCHEMBL3428540 0.71 F10 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628668-A2 1,1-DISUBSTITUTEDCYCLOALKYL-, GLYCINAMIDYL-, SULFONYL-AMIDINO-, AND TETRAHYDROPYRIMIDINYL-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITO RS Bristol-Myers Squibb Company (US) 2006-03-01 — — EP disclosed
WO-2004108892-A2 1,1-DISUBSTITUTEDCYCLOALKYL-, GLYCINAMIDYL-, SULFONYL-AMIDINO-, AND TETRAHYDROPYRIMIDINYL-CONTAINING DIAMINOALKYL, β-AMINOACIDS, α-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-16 — — WO disclosed
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