SCHEMBL8613152

SCHEMBL8613152

CC(CNC(=O)C(C)NC(=O)C(C)N)COc1cccc2c1C[C@](NC(=O)OC(C)(C)C)(C(=O)O)CC2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.36
GPR88 Q9GZN0 3/20 0.32
CPB2 Q96IY4 1/20 0.32
BACE1 P56817 3/20 0.31
SYK P43405 1/20 0.31
ATM Q13315 1/20 0.31
KMT2A Q03164 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
ADRB2 P07550 2/20 0.30
ADRB1 P08588 1/20 0.30
ADRA1A P35348 1/20 0.30
RECQL P46063 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HTR1A P08908 1/20 0.30
CXCR3 P49682 1/20 0.30
OPRD1 P41143 1/20 0.30

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
SCHEMBL8997591 1.00 GHSR (0.36) GHSRGPR88CPB2BACE1SYK
SCHEMBL8997715 0.89 CPB2 (0.31) GHSRGPR88CPB2
SCHEMBL8582293 0.88 SYK (0.44) GHSRSYK
SCHEMBL8585491 0.84 GHSR (0.42) GHSRADRB2ADRB1ADRA1ARECQL
SCHEMBL8612146 0.84 GHSR (0.42) GHSRKMT2AADRB2ADRB1ADRA1A
SCHEMBL8581606 0.83 GHSR (0.42) GHSRADRB2ADRB1ADRA1ARECQL
SCHEMBL8584100 0.80 GHSR (0.42) GHSRCPB2PCSK9ADRB2ADRB1
SCHEMBL8997886 0.79 PRMT5 (0.31) GHSR
SCHEMBL8997612 0.77 SYK (0.41) SYKTSHR
SCHEMBL8997761 0.76 GHSR (0.33) GHSR

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