SCHEMBL7301262

SCHEMBL7301262

N[C@@H](Cc1ccsc1)C(=O)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 2/20 0.36
GLA P06280 1/20 0.36
BRCA1 P38398 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
ALPI P09923 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 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
SCHEMBL27268932 0.84 PKM (0.51) DPP4ALDH1A1L3MBTL1POLBGAA
SCHEMBL7307307 0.79 GLA (0.45) DPP4DPP8DPP9SLC1A3SLC1A2
SCHEMBL4515508 0.78 L3MBTL1 (0.47) ALDH1A1L3MBTL1POLBMAPTCYP1A2
SCHEMBL5692348 0.74 SLC1A3 (0.47) DPP4DPP8DPP9SLC1A3SLC1A2
SCHEMBL22775723 0.74 SLC1A3 (0.47) DPP4DPP8DPP9SLC1A3SLC1A2
SCHEMBL5222079 0.74 SLC1A3 (0.47) DPP4DPP8DPP9SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL3995222 0.73 ALDH1A1 (0.47) DPP4DPP8DPP9SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL6774341 0.73 ALDH1A1 (0.47) DPP4DPP8DPP9SLC1A3SLC1A2
SCHEMBL28683018 0.73 CYP1A2 (0.48) DPP4DPP8DPP9SLC1A3SLC1A2
SCHEMBL8882780 0.71 ALDH1A1 (0.71) ALDH1A1L3MBTL1POLBGLAGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657453-B1 Angiotensin converting enzyme (ace) inhibitors containing a fused multiple ring lactam BRISTOL MYERS SQUIBB CO (US) 1999-01-20 EP disclosed
US-5637698-A ANGIOTENSIN CONVERTING ENZYME AND NEUTRAL ENDOPEPTIDASE INHIBITOR BRISTOL-MYERS SQUIBB CO. (US) 1997-06-10 US disclosed
US-5525723-A INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME, NEUTRAL ENDOPEPTIDASE BRISTOL-MYERS SQUIBB CO. (US) 1996-06-11 US disclosed
EP-0657453-A1 Angiotensin converting enzyme (ace) inhibitors containing a fused multiple ring lactam BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-14 EP disclosed