Sugi Predict

Sugi Predict / Compounds / SCHEMBL8997623

SCHEMBL8997623

SCHEMBL8997623

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

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.34
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL8997761 0.95 GHSR (0.33) GHSRKCNH2
SCHEMBL8997603 0.88 SYK (0.38) GHSR
SCHEMBL8997596 0.83 GHSR (0.35) GHSRKCNH2
SCHEMBL8997619 0.82 GHSR (0.35) GHSRKCNH2
SCHEMBL8997715 0.81 CPB2 (0.31) GHSR
SCHEMBL8997607 0.81 GHSR (0.35) GHSRKCNH2
SCHEMBL8997886 0.79 PRMT5 (0.31) GHSR
SCHEMBL8997626 0.79 GHSR (0.35) GHSRKCNH2
SCHEMBL8997612 0.76 SYK (0.41) —
SCHEMBL8997604 0.76 GHSR (0.34) 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