SCHEMBL8997626

SCHEMBL8997626

COC(=O)O[C@]1(NC(=O)OC(C)(C)C)CCc2cccc(OC[C@H](C)CO[Si](C)(C)C(C)(C)C)c2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.35
ADRB2 P07550 4/20 0.32
ADRB1 P08588 3/20 0.32
TSHR P16473 2/20 0.32
ADRA1A P35348 1/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
HTR1A P08908 3/20 0.31
ADRB3 P13945 1/20 0.31
SLC6A4 P31645 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
KCNH2 Q12809 1/20 0.31
OPRK1 P41145 1/20 0.31
ADRA2A P08913 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CASP1 P29466 1/20 0.30
CASP3 P42574 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
SCHEMBL8997619 0.89 GHSR (0.35) GHSRADRB2ADRB1TSHRADRA1A
SCHEMBL8997596 0.88 GHSR (0.35) GHSRADRB2ADRB1TSHRADRA1A
SCHEMBL8997607 0.88 GHSR (0.35) GHSRADRB2ADRB1TSHRADRA1A
SCHEMBL8584100 0.86 GHSR (0.42) GHSRADRB2ADRB1TSHRADRA1A
SCHEMBL8997886 0.80 PRMT5 (0.31) GHSRCASP1CASP3CASP7CASP6
SCHEMBL8997623 0.79 GHSR (0.34) GHSRKCNH2
SCHEMBL8560312 0.77 GHSR (0.39) GHSRMTNR1AMTNR1BHTR1A
SCHEMBL8559137 0.77 GHSR (0.39) GHSRMTNR1AMTNR1BHTR1A
SCHEMBL8997625 0.77 GHSR (0.37) GHSRADRB2LMNAMTNR1AMTNR1B
SCHEMBL8997612 0.77 SYK (0.41) TSHRCTSK

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-0729972-A1 Peptide derivatives of tetrahydronaphthalene F. HOFFMANN-LA ROCHE AG (CH) 1996-09-04 EP disclosed