SCHEMBL7669206

SCHEMBL7669206

O=C(N[C@H](C(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)O)c1ccccc1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
CYP3A4 P08684 8/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PREP P48147 1/20 0.42
ATM Q13315 1/20 0.41
TSHR P16473 6/20 0.41
ALDH1A1 P00352 4/20 0.41
OPRK1 P41145 2/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
REN P00797 1/20 0.38
TRPM8 Q7Z2W7 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
SCHEMBL7670975 0.90 DPP4 (0.49) DPP4CYP3A4PREPTSHRALDH1A1
SCHEMBL7668101 0.89 PREP (0.48) DPP4CYP3A4LMNASMN1; SMN2PREP
SCHEMBL7668192 0.87 CAPN1 (0.49) DPP4CYP3A4PREPCTSLREN
SCHEMBL7665715 0.87 DPP4 (0.47) DPP4CYP3A4LMNASMN1; SMN2PREP
SCHEMBL7663439 0.86 DPP4 (0.47) DPP4PREPOPRK1CTSLCTSS
SCHEMBL7669769 0.86 CASP1 (0.43) DPP4CYP3A4LMNASMN1; SMN2PREP
SCHEMBL7670814 0.86 REN (0.49) DPP4PREPCTSLCTSSREN
SCHEMBL5711369 0.85 CYP3A4 (0.47) DPP4CYP3A4LMNASMN1; SMN2PREP
SCHEMBL7658041 0.85 CTSL (0.44) DPP4CYP3A4LMNAPREPCTSL
SCHEMBL7668437 0.84 DPP4 (0.55) DPP4PREPCTSLREN

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