SCHEMBL7450646

SCHEMBL7450646

CC(=O)S[C@@H](Cc1ccccc1)C(=O)NC1Cc2ccccc2CN(CC(=O)OC(c2ccccc2)c2ccccc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.57
ACE P12821 3/20 0.55
MME P08473 2/20 0.55
OPRM1 P35372 6/20 0.46
OPRD1 P41143 4/20 0.46
TACR1 P25103 1/20 0.41
ANPEP P15144 1/20 0.41
LNPEP Q9UIQ6 1/20 0.41

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
SCHEMBL7450649 1.00 HRH4 (0.57) HRH4ACEMMEOPRM1OPRD1
SCHEMBL7338418 0.88 ACE (0.71) HRH4ACEMMEOPRM1OPRD1
SCHEMBL7443809 0.88 ACE (0.71) HRH4ACEMMEOPRM1OPRD1
SCHEMBL7338402 0.88 ACE (0.71) HRH4ACEMMEOPRM1OPRD1
SCHEMBL7338396 0.88 ACE (0.71) HRH4ACEMMEOPRM1OPRD1
SCHEMBL7448178 0.84 MME (0.50) HRH4ACEMMEOPRM1OPRD1
SCHEMBL7387663 0.78 ACE (0.69) HRH4ACEMMEOPRM1OPRD1
SCHEMBL7433001 0.78 MME (0.58) HRH4ACEMMEOPRM1OPRD1
SCHEMBL7349703 0.74 ACE (0.68) HRH4ACEMMEOPRM1OPRD1
SCHEMBL7449059 0.74 ACE (0.68) HRH4ACEMMEOPRM1OPRD1

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