SCHEMBL14279155

SCHEMBL14279155

C#CCCC(NC(=O)[C@@H]1[C@H]2CCC(C)(C)[C@H]2CN1C(=O)[C@@H](N)C1(C)CCCCC1)C(=O)C(=O)NCC=C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.32
▸ FAP Q12884 2/20 0.32
▸ PITRM1 Q5JRX3 2/20 0.32
▸ DPP8 Q6V1X1 2/20 0.32
▸ DPP9 Q86TI2 2/20 0.32
▸ DPP7 Q9UHL4 2/20 0.32

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
SCHEMBL10274946 0.93 DPP4 (0.32) DPP4FAPPITRM1DPP8DPP9
SCHEMBL8253440 0.91 DPP4 (0.34) DPP4FAPPITRM1DPP8DPP9
SCHEMBL8244306 0.90 ALDH1A1 (0.30) —
SCHEMBL8280643 0.89 CTSV (0.32) —
SCHEMBL13249153 0.89 DPP4 (0.33) DPP4FAPPITRM1DPP8DPP9
SCHEMBL14595892 0.89 CTSV (0.38) —
SCHEMBL8280783 0.89 CTSV (0.38) —
SCHEMBL13817720 0.89 CTSV (0.38) —
SCHEMBL10274953 0.84 CTSB (0.33) DPP4FAPPITRM1DPP8DPP9
SCHEMBL13818162 0.84 DPP4 (0.40) DPP4FAPPITRM1DPP8DPP9

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
US-7342041-B2 3,4-(cyclopentyl)-fused proline compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2008-03-11 — — US disclosed
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