SCHEMBL8612146

SCHEMBL8612146

CCNCC(C)COc1cccc2c1C[C@@](NC(=O)OC(C)(C)C)(C(=O)O)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.42
ADRB2 P07550 4/20 0.34
ADRB1 P08588 3/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.34
ADRA1A P35348 1/20 0.34
RECQL P46063 1/20 0.34
KCNH2 Q12809 1/20 0.33
HTR1A P08908 3/20 0.33
OPRK1 P41145 1/20 0.33
NR1I3 Q14994 1/20 0.32
CXCR5 P32302 3/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
SSTR4 P31391 1/20 0.31
ADRB3 P13945 1/20 0.31
SLC6A4 P31645 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL8581606 0.89 GHSR (0.42) GHSRADRB2ADRB1TSHRLMNA
SCHEMBL8585491 0.88 GHSR (0.42) GHSRADRB2ADRB1TSHRLMNA
SCHEMBL8584100 0.87 GHSR (0.42) GHSRADRB2ADRB1TSHRLMNA
SCHEMBL8997607 0.85 GHSR (0.35) GHSRADRB2ADRB1TSHRLMNA
SCHEMBL8613152 0.84 GHSR (0.36) GHSRADRB2ADRB1TSHRLMNA
SCHEMBL8997591 0.84 GHSR (0.36) GHSRADRB2ADRB1TSHRLMNA
SCHEMBL8582293 0.80 SYK (0.44) GHSR
SCHEMBL1162409 0.76 GHSR (0.48) GHSRHTR1ACXCR5
SCHEMBL8581652 0.76 GHSR (0.48) GHSRHTR1ACXCR5
SCHEMBL1162415 0.76 GHSR (0.48) GHSRHTR1ACXCR5

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