SCHEMBL8161377

SCHEMBL8161377

C=C(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.45
▸ DPP8 Q6V1X1 1/20 0.45
▸ DPP9 Q86TI2 1/20 0.45
▸ ELANE P08246 9/20 0.43
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CMA1 P23946 2/20 0.39
▸ NR1I2 O75469 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL2756268 0.86 CYP3A4 (0.49) DPP4DPP8DPP9ELANECYP3A4
SCHEMBL3268700 0.86 CYP3A4 (0.49) DPP4DPP8DPP9ELANECYP3A4
SCHEMBL13071010 0.84 CYP3A4 (0.47) DPP4DPP8DPP9ELANECYP3A4
SCHEMBL8143604 0.82 CMA1 (0.53) ELANECMA1
SCHEMBL8161391 0.82 ELANE (0.43) DPP4DPP8DPP9ELANECYP3A4
SCHEMBL8161374 0.82 CMA1 (0.53) ELANECMA1
SCHEMBL3778456 0.81 DPP4 (0.49) DPP4DPP8DPP9ELANE
SCHEMBL8167988 0.79 DPP4 (0.45) DPP4DPP8DPP9ELANECMA1
SCHEMBL8167984 0.78 SMN1; SMN2 (0.55) DPP4DPP8DPP9ELANE
SCHEMBL12566960 0.77 DPP4 (0.51) DPP4DPP8DPP9ELANECYP3A4

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-2008095058-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO. LTD. (TW) 2008-08-07 — — WO disclosed
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