SCHEMBL7448178

SCHEMBL7448178

CC(=O)S[C@@H](Cc1ccccc1)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](C)C(=O)OC(c2ccccc2)c2ccccc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.50
HRH4 Q9H3N8 1/20 0.45
ACE P12821 2/20 0.44
OPRM1 P35372 3/20 0.41
OPRD1 P41143 2/20 0.41
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL7433001 0.88 MME (0.58) MMEHRH4ACEOPRM1OPRD1
SCHEMBL7450649 0.84 HRH4 (0.57) MMEHRH4ACEOPRM1OPRD1
SCHEMBL7450646 0.84 HRH4 (0.57) MMEHRH4ACEOPRM1OPRD1
SCHEMBL7338402 0.78 ACE (0.71) MMEHRH4ACEOPRM1OPRD1
SCHEMBL7338396 0.78 ACE (0.71) MMEHRH4ACEOPRM1OPRD1
SCHEMBL7443809 0.78 ACE (0.71) MMEHRH4ACEOPRM1OPRD1
SCHEMBL7338418 0.78 ACE (0.71) MMEHRH4ACEOPRM1OPRD1
SCHEMBL7438781 0.73 OPRM1 (0.45) MMEACEOPRM1OPRD1
SCHEMBL7155944 0.73 MME (0.72) MMEHRH4ACE
SCHEMBL7441529 0.72 MME (0.64) MMEHRH4ACE

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
WO-1994026719-A1 MERCAPTO-AMIDE DERIVATIVES USEFUL AS NEUTRAL ENDOPEPTIDASE AND ACE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed