SCHEMBL8997625

SCHEMBL8997625

COC(=O)O[C@]1(NC(=O)OC(C)(C)C)CCc2cccc(Oc3ccccc3CN)c2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.37
RPS6KA1 Q15418 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
CACNA1B Q00975 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
KDM1A O60341 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
DRD2 P14416 2/20 0.31
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CYP1A2 P05177 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
SCHEMBL8997600 0.84 SYK (0.40) RPS6KA1LMNAITGA4ITGB7CYP1A2
SCHEMBL8583595 0.84 GHSR (0.44) GHSRRPS6KA1LMNASMN1; SMN2MTNR1A
SCHEMBL8997596 0.83 GHSR (0.35) GHSRLMNAMTNR1AMTNR1BPRMT5
SCHEMBL8997604 0.82 GHSR (0.34) GHSR
SCHEMBL8567143 0.82 CA1 (0.39) GHSRMAPT
SCHEMBL8573147 0.82 CYP3A4 (0.37) GHSRADRB2HTR1ACTSSCTSK
SCHEMBL8575729 0.82 CA1 (0.39) GHSRMAPT
SCHEMBL8560312 0.81 GHSR (0.39) GHSRMTNR1AMTNR1BDPP8DPP9
SCHEMBL8559137 0.81 GHSR (0.39) GHSRMTNR1AMTNR1BDPP8DPP9
SCHEMBL8997619 0.80 GHSR (0.35) GHSRLMNAMTNR1AMTNR1BPRMT5

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