SCHEMBL8585491

SCHEMBL8585491

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.42
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRA1A P35348 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
CXCR5 P32302 6/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
KCNH2 Q12809 1/20 0.32
HTR1A P08908 1/20 0.32
OPRK1 P41145 1/20 0.32
KDM1A O60341 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
NR1I3 Q14994 1/20 0.31
SCN4A P35499 2/20 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 0.92 GHSR (0.42) GHSRADRB2ADRB1ADRA1ARECQL
SCHEMBL8612146 0.88 GHSR (0.42) GHSRADRB2ADRB1ADRA1ARECQL
SCHEMBL8584100 0.88 GHSR (0.42) GHSRADRB2ADRB1ADRA1ARECQL
SCHEMBL8997596 0.85 GHSR (0.35) GHSRADRB2ADRB1ADRA1ARECQL
SCHEMBL8613152 0.84 GHSR (0.36) GHSRADRB2ADRB1ADRA1ARECQL
SCHEMBL8997591 0.84 GHSR (0.36) GHSRADRB2ADRB1ADRA1ARECQL
SCHEMBL8583595 0.80 GHSR (0.44) GHSRLMNACXCR5MTNR1AMTNR1B
SCHEMBL8582293 0.79 SYK (0.44) GHSR
SCHEMBL8579256 0.79 GHSR (0.44) GHSRCXCR5MTNR1AMTNR1BKDM1A
SCHEMBL1162409 0.78 GHSR (0.48) GHSRCXCR5HTR1A

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