SCHEMBL8252796

SCHEMBL8252796

C=CCNC(=O)C(=C1CC1)C(CCCC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.36
▸ STAT3 P40763 1/20 0.35
▸ DPP4 P27487 3/20 0.35
▸ DPP8 Q6V1X1 3/20 0.35
▸ DPP9 Q86TI2 3/20 0.35
▸ FAP Q12884 2/20 0.35
▸ DPP7 Q9UHL4 2/20 0.35
▸ XIAP P98170 1/20 0.35
▸ ELANE P08246 2/20 0.34
▸ GRB2 P62993 1/20 0.34
▸ DPP3 Q9NY33 1/20 0.34
▸ F2 P00734 3/20 0.33
▸ NTSR2 O95665 1/20 0.33
▸ NTSR1 P30989 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL8253477 0.90 DPP4 (0.38) OPRM1STAT3DPP4DPP8DPP9
SCHEMBL8247918 0.90 DPP4 (0.38) OPRM1STAT3DPP4DPP8DPP9
SCHEMBL8280370 0.84 DPP4 (0.39) OPRM1DPP4DPP8DPP9FAP
SCHEMBL8243897 0.84 DPP4 (0.39) OPRM1DPP4DPP8DPP9FAP
SCHEMBL8240611 0.80 DPP4 (0.38) OPRM1DPP4DPP8DPP9FAP
SCHEMBL8249374 0.80 DPP4 (0.41) OPRM1DPP4DPP8DPP9FAP
SCHEMBL8247400 0.80 DPP4 (0.41) OPRM1STAT3DPP4DPP8DPP9
SCHEMBL8279416 0.79 PEPD (0.42) OPRM1DPP4DPP8DPP9FAP
SCHEMBL8240265 0.79 DPP4 (0.39) OPRM1DPP4DPP8DPP9FAP
SCHEMBL8250731 0.79 ELANE (0.36) ELANE

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-2006130607-A2 CONTROLLED-RELEASE FORMULATION USEFUL FOR TREATING DISORDERS ASSOCIATED WITH HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
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