SCHEMBL8241586

SCHEMBL8241586

COC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3ccccc3C2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.40
KLK5 Q9Y337 1/20 0.39
DPP8 Q6V1X1 2/20 0.37
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
CTSL P07711 1/20 0.37
NAMPT P43490 2/20 0.36
CTSK P43235 1/20 0.36
DRD2 P14416 2/20 0.36
AAK1 Q2M2I8 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CACNA1B Q00975 1/20 0.35
CYP19A1 P11511 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
SCHEMBL4407737 1.00 ELANE (0.40) ELANEKLK5DPP8DPP4DPP9
SCHEMBL2743892 0.90 KLK5 (0.34) ELANEKLK5CTSLCTSKAAK1
SCHEMBL13594519 0.90 DPP8 (0.37) ELANEDPP8DPP4DPP9DPP7
SCHEMBL4458000 0.90 DPP8 (0.37) ELANEDPP8DPP4DPP9DPP7
SCHEMBL4408069 0.86 ELANE (0.52) ELANEKLK5NAMPTCTSK
SCHEMBL13594509 0.86 ELANE (0.52) ELANEKLK5NAMPTCTSK
SCHEMBL8236821 0.85 ELANE (0.42) ELANECTSLNAMPTCTSKDRD2
SCHEMBL13594377 0.85 ELANE (0.41) ELANECTSLNAMPTCTSKDRD2
SCHEMBL13594513 0.84 NAMPT (0.37) KLK5DPP8DPP4DPP9DPP7
SCHEMBL8236830 0.84 ELANE (0.36) ELANEDPP8DPP4DPP9DPP7

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-2007089618-A2 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2007-08-09 WO disclosed