SCHEMBL7304968

SCHEMBL7304968

O=C(O)[C@H](CCCCO)NC(=O)[C@H](Cc1cccs1)NN1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.44
▸ GAA P10253 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP2C19 P33261 1/20 0.39
▸ FNTA P49354 2/20 0.39
▸ FNTB P49356 2/20 0.39
▸ PGGT1B P53609 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ GNPAT O15228 1/20 0.36
▸ CTSC P53634 3/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL7307479 0.89 FOLH1 (0.42) FOLH1GAANPSR1CYP2C19FNTA
SCHEMBL7307301 0.84 CYP2C19 (0.51) FOLH1GAANPSR1CYP2C19LMNA
SCHEMBL7296774 0.83 MME (0.44) FOLH1GNPATCTSSCTSK
SCHEMBL7307291 0.77 ACE (0.52) CYP2C19
SCHEMBL7344601 0.74 MME (0.41) GNPATCTSSCTSK
SCHEMBL8881003 0.74 GAA (0.46) GAANPSR1LMNARAB9A
SCHEMBL9229018 0.74 GAA (0.46) GAANPSR1LMNARAB9A
SCHEMBL8880999 0.74 GAA (0.46) GAANPSR1LMNARAB9A
SCHEMBL7281365 0.72 ALDH1A1 (0.59) GAALMNAGNPAT
SCHEMBL7281335 0.72 ALDH1A1 (0.59) GAALMNAGNPAT

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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