SCHEMBL8580708

SCHEMBL8580708

CC(N)C(=O)NC(C)C(=O)NCc1ccccc1OOC(=O)[C@]1(NC(=O)OC(C)(C)C)CCc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.43
GAA P10253 3/20 0.34
OPRD1 P41143 1/20 0.34
BACE1 P56817 3/20 0.34
ALDH1A1 P00352 2/20 0.33
KCNA5 P22460 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ANPEP P15144 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8582291 0.88 SYK (0.42) GHSRALDH1A1HPGDHSD17B10
SCHEMBL8581721 0.82 GHSR (0.48) GHSRBACE1
SCHEMBL8580657 0.76 GAA (0.36) GAABACE1ALDH1A1HPGDHSD17B10
SCHEMBL8583068 0.76 GHSR (0.43) GHSR
SCHEMBL8997611 0.76 RPS6KA1 (0.34) GHSRGAABACE1ALDH1A1KCNA5
SCHEMBL8585740 0.74 GHSR (0.45) GHSRBACE1
SCHEMBL8613152 0.72 GHSR (0.36) GHSROPRD1BACE1
SCHEMBL8997591 0.72 GHSR (0.36) GHSROPRD1BACE1
SCHEMBL5196233 0.71 GHSR (0.61) GHSRBACE1
SCHEMBL2813574 0.69 GHSR (0.63) GHSRBACE1

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-5837807-A DIPEPTIDES AND CYCLIC PEPTIDE DERIVATIVES OF AMINO TETRAHYDRONAPHTHALENECARBOXYLIC ACID AND HELICAL DOMAINS HOFFMANN-LA ROCHE INC. (US) 1998-11-17 US disclosed