SCHEMBL8997607

SCHEMBL8997607

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.35
KCNH2 Q12809 1/20 0.33
ADRB2 P07550 4/20 0.33
ADRB1 P08588 3/20 0.33
TSHR P16473 2/20 0.33
ADRA1A P35348 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.33
HTR1A P08908 3/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
ADRB3 P13945 1/20 0.32
SLC6A4 P31645 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
OPRK1 P41145 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 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 0.90 GHSR (0.35) GHSRKCNH2ADRB2ADRB1TSHR
SCHEMBL8997596 0.89 GHSR (0.35) GHSRKCNH2ADRB2ADRB1TSHR
SCHEMBL8997626 0.88 GHSR (0.35) GHSRKCNH2ADRB2ADRB1TSHR
SCHEMBL8612146 0.85 GHSR (0.42) GHSRKCNH2ADRB2ADRB1TSHR
SCHEMBL8997886 0.83 PRMT5 (0.31) GHSRPRMT5WDR77
SCHEMBL8997623 0.81 GHSR (0.34) GHSRKCNH2
SCHEMBL8997612 0.81 SYK (0.41) TSHRCYP1A2CYP2C9
SCHEMBL8997715 0.78 CPB2 (0.31) GHSR
SCHEMBL8559137 0.78 GHSR (0.39) GHSRHTR1AMTNR1AMTNR1B
SCHEMBL8560312 0.78 GHSR (0.39) GHSRHTR1AMTNR1AMTNR1B

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