SCHEMBL7301260

SCHEMBL7301260

O=C(O)[C@H](Cc1ccsc1)NN1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ POLB P06746 2/20 0.39
▸ OPRM1 P35372 5/20 0.38
▸ OPRK1 P41145 3/20 0.38
▸ OPRD1 P41143 2/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ PSMB5 P28074 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SLC1A3 P43003 1/20 0.36
▸ SLC1A2 P43004 1/20 0.36
▸ SLC1A1 P43005 1/20 0.36

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
SCHEMBL7272751 0.85 ALDH1A1 (0.56) MMEALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7265100 0.85 ALDH1A1 (0.56) MMEALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7296774 0.84 MME (0.44) MMECTSSCTSKPSMB5
SCHEMBL7344601 0.83 MME (0.41) MMEOPRM1OPRK1OPRD1CTSS
SCHEMBL7307301 0.78 CYP2C19 (0.51) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL8882780 0.77 ALDH1A1 (0.71) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL8787955 0.76 ALDH1A1 (0.47) MMEALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL11360473 0.75 ALDH1A1 (0.47) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL8106811 0.74 ALDH1A1 (0.58) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL8787182 0.74 ALDH1A1 (0.50) ALDH1A1L3MBTL1MEN1KMT2AGAA

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
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