SCHEMBL9304988

SCHEMBL9304988

C[C@@H](N)Cc1ncc(CC(C)(C(=O)O)C(=O)O)s1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 5/20 0.35
▸ ADRB1 P08588 5/20 0.35
▸ ADRB3 P13945 5/20 0.35
▸ LNPEP Q9UIQ6 7/20 0.33
▸ COPS5 Q92905 1/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ BLM P54132 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
SCHEMBL9304994 1.00 ADRB2 (0.35) ADRB2ADRB1ADRB3LNPEPCOPS5
SCHEMBL9304656 0.78 ADRB2 (0.54) ADRB2ADRB1ADRB3
SCHEMBL9304652 0.78 ADRB2 (0.54) ADRB2ADRB1ADRB3
SCHEMBL9303990 0.75 ADRB2 (0.55) ADRB2ADRB1ADRB3
SCHEMBL9303995 0.75 ADRB2 (0.55) ADRB2ADRB1ADRB3
SCHEMBL14895223 0.70 NOS1 (0.45) SMYD3BLM
SCHEMBL17933366 0.69 FDPS (0.35) SMYD3BLM
SCHEMBL21533859 0.66 — —
SCHEMBL21325317 0.66 RAB9A (0.32) L3MBTL1
SCHEMBL22751232 0.66 — —

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
US-5321036-A Treatment of diabetes, obesity and gastrointestinal disorders BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-14 — — US disclosed
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