SCHEMBL7670975

SCHEMBL7670975

O=C(N[C@@H](Cc1ccccc1)C(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.49
REN P00797 1/20 0.47
ACE P12821 2/20 0.45
PREP P48147 1/20 0.43
TACR1 P25103 2/20 0.42
CTSL P07711 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL7663439 0.97 DPP4 (0.47) DPP4RENACEPREPTACR1
SCHEMBL7665715 0.94 DPP4 (0.47) DPP4RENACEPREPCTSL
SCHEMBL7670814 0.92 REN (0.49) DPP4RENPREPCTSLCTSB
SCHEMBL7668437 0.91 DPP4 (0.55) DPP4RENACEPREPCTSL
SCHEMBL7668101 0.90 PREP (0.48) DPP4RENACEPREPALDH1A1
SCHEMBL7665547 0.90 DPP4 (0.45) DPP4RENACEPREPCTSL
SCHEMBL7669206 0.90 DPP4 (0.42) DPP4RENPREPCTSLALDH1A1
SCHEMBL7664388 0.89 ADORA3 (0.45) DPP4RENPREP
SCHEMBL7668192 0.89 CAPN1 (0.49) DPP4RENPREPCTSLCYP3A4
SCHEMBL7669769 0.88 CASP1 (0.43) DPP4RENPREPALDH1A1CYP3A4

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-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed