SCHEMBL7433358

SCHEMBL7433358

COCCN(C)C(=O)C[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 7/20 0.53
CPA3 P15088 3/20 0.53
CPB1 P15086 1/20 0.53
CPB2 Q96IY4 1/20 0.53
CYP1A2 P05177 1/20 0.50
MME P08473 2/20 0.47
FOLH1 Q04609 1/20 0.45
ANPEP P15144 1/20 0.45
RNPEP Q9H4A4 1/20 0.45
DNPEP Q9ULA0 1/20 0.45
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL7290455 0.90 CPA1 (0.46) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7399070 0.90 CPA1 (0.46) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7436937 0.90 MME (0.41) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL5709641 0.87 LTB4R (0.41) MMEANPEP
SCHEMBL7280064 0.85 CPA1 (0.57) CPA1CPA3CPB1CPB2CYP1A2
Hydrochloric Acid SCHEMBL10449746 0.83 CPA1 (0.55) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7399073 0.82 CPA1 (0.43) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL9556127 0.82 CPA1 (0.43) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7274920 0.81 CPA1 (0.60) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7280854 0.81 CPA1 (0.53) CPA1CPA3CPB1CPB2CYP1A2

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
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed