SCHEMBL8280667

SCHEMBL8280667

C=CCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC=O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 5/20 0.38
▸ F10 P00742 1/20 0.38
▸ BIRC2 Q13490 7/20 0.35
▸ PLAT P00750 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ XIAP P98170 1/20 0.32
▸ BIRC3 Q13489 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ OPRM1 P35372 1/20 0.31

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
SCHEMBL8257927 0.87 F2 (0.39) F2F10PRSS1XIAPDPP4
SCHEMBL16329140 0.85 KMT2A (0.39) F2F10PRSS1
SCHEMBL12605984 0.85 KMT2A (0.39) F2F10PRSS1
SCHEMBL8240043 0.85 F2 (0.39) F2F10BIRC2DPP4ALDH1A1
SCHEMBL16313079 0.83 ALDH1A1 (0.32) DPP4ALDH1A1NPSR1
SCHEMBL8253163 0.82 F2 (0.33) F2F10BIRC2PLATPRSS1
SCHEMBL8247775 0.82 ABCG2 (0.37) —
SCHEMBL8246486 0.82 — —
SCHEMBL8250187 0.80 BIRC2 (0.34) F2F10BIRC2PLATPRSS1
SCHEMBL12606095 0.80 NPSR1 (0.40) F2F10BIRC2PLATPRSS1

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
WO-2005087731-A1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 — — WO disclosed
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