SCHEMBL7655799

SCHEMBL7655799

COc1ccc2c(c1)CC(C(=O)O)N2C(=O)[C@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.51
MME P08473 1/20 0.51
PREP P48147 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL7659034 1.00 ACE (0.51) ACEMMEPREPCA1CA2
SCHEMBL7655796 1.00 ACE (0.51) ACEMMEPREPCA1CA2
SCHEMBL7658633 0.91 CAPN1 (0.47) ACE
SCHEMBL7658637 0.91 CAPN1 (0.47) ACE
SCHEMBL7039233 0.88 KDM4E (0.50) PREP
SCHEMBL7043163 0.88 KDM4E (0.50) PREP
SCHEMBL7037763 0.81 KDM4E (0.48)
SCHEMBL11157038 0.80 ACE (0.59) ACEMMEPREP
SCHEMBL11166770 0.80 ACE (0.59) ACEMMEPREP
SCHEMBL3729400 0.78 ACE (0.57) ACEMME

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
US-6403561-B1 DISORDERS ASSOCIATED WITH THE INACTIVATION OR EXCESSIVE DEGRADATION OF CHOLECYSTOKININ; INHIBITING THE ENZYMATIC HYDROLYSIS OF CHOLECYSTOKININ 1-(2(S)-AMINOBUTYRYL)-2(S)-INDOLINECARBOXYLIC ACID INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-06-11 US disclosed