SCHEMBL6872905

SCHEMBL6872905

CC[C@H](C)COc1ccc([C@H](CO)NC(C)=O)c(C)c1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 15/20 0.72
▸ MTNR1A P48039 3/20 0.41
▸ MTNR1B P49286 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL1553453 0.85 GPR88 (0.66) GPR88MEN1KMT2A
SCHEMBL2499205 0.85 GPR88 (0.66) GPR88MEN1KMT2A
SCHEMBL1554714 0.77 GPR88 (0.55) GPR88MEN1KMT2A
SCHEMBL11904814 0.77 GPR88 (0.55) GPR88MEN1KMT2A
SCHEMBL1554711 0.77 GPR88 (0.55) GPR88MEN1KMT2A
SCHEMBL2499207 0.76 GPR88 (1.00) GPR88
SCHEMBL6871594 0.74 GPR88 (0.54) GPR88
SCHEMBL1554890 0.74 GPR88 (0.74) GPR88
SCHEMBL27887826 0.74 GPR88 (0.74) GPR88
SCHEMBL15127992 0.72 GPR88 (0.52) GPR88MEN1KMT2A

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
WO-2011044195-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 — — WO disclosed
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