SCHEMBL11904814

SCHEMBL11904814

CCC(C)COc1ccc([C@@H](N)CO)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 9/20 0.55
▸ KMT2A Q03164 5/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CARM1 Q86X55 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ FKBP1A P62942 1/20 0.38

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
SCHEMBL1554711 1.00 GPR88 (0.55) GPR88KMT2AL3MBTL1CARM1FFAR1
SCHEMBL1554714 1.00 GPR88 (0.55) GPR88KMT2AL3MBTL1CARM1FFAR1
SCHEMBL15127991 0.89 GPR88 (0.48) GPR88KMT2AL3MBTL1CARM1SMN1; SMN2
SCHEMBL15134951 0.87 GPR88 (0.45) GPR88KMT2AL3MBTL1CARM1SMN1; SMN2
SCHEMBL15121644 0.87 GPR88 (0.47) GPR88KMT2AL3MBTL1CARM1FFAR1
SCHEMBL15121578 0.78 FFAR1 (0.54) GPR88FFAR1
SCHEMBL6872905 0.77 GPR88 (0.72) GPR88KMT2AMEN1
SCHEMBL15121974 0.77 GPR88 (0.47) GPR88KMT2AL3MBTL1FFAR1
SCHEMBL11904853 0.73 GPR88 (0.43) GPR88L3MBTL1CARM1SMN1; SMN2FKBP1A
SCHEMBL2499205 0.73 GPR88 (0.66) GPR88KMT2AMEN1

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-2486030-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 — — EP disclosed
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