SCHEMBL8997715

SCHEMBL8997715

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

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.31
GPR88 Q9GZN0 1/20 0.31
GHSR Q92847 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
SCHEMBL8613152 0.89 GHSR (0.36) CPB2GPR88GHSR
SCHEMBL8997591 0.89 GHSR (0.36) CPB2GPR88GHSR
SCHEMBL8997761 0.87 GHSR (0.33) GHSR
SCHEMBL8997886 0.85 PRMT5 (0.31) GHSR
SCHEMBL8997611 0.85 RPS6KA1 (0.34) GHSR
SCHEMBL8997612 0.84 SYK (0.41)
SCHEMBL8997716 0.82 GHSR (0.33) GHSR
SCHEMBL8997623 0.81 GHSR (0.34) GHSR
SCHEMBL8997695 0.81 P2RY1 (0.37)
SCHEMBL8997596 0.79 GHSR (0.35) GHSR

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