SCHEMBL22365407

SCHEMBL22365407

COC(=O)C(C)Cc1cccc(OCC2CC(N)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 14/20 0.43
▸ TAAR1 Q96RJ0 2/20 0.40
▸ ACACB O00763 1/20 0.40
▸ ACACA Q13085 1/20 0.40

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
SCHEMBL22365447 0.90 GPR88 (0.43) FFAR1TAAR1ACACBACACA
SCHEMBL22365454 0.90 FFAR1 (0.42) FFAR1TAAR1ACACBACACA
SCHEMBL22365237 0.88 ACACA (0.50) ACACBACACA
SCHEMBL22365350 0.86 FFAR1 (0.56) FFAR1
SCHEMBL22365452 0.85 ALDH1A1 (0.41) FFAR1TAAR1ACACBACACA
SCHEMBL22365291 0.84 FFAR1 (0.58) FFAR1TAAR1
SCHEMBL22365225 0.84 FFAR1 (0.58) FFAR1
SCHEMBL22365453 0.84 FFAR1 (0.60) FFAR1ACACB
SCHEMBL22365317 0.81 SLC6A2 (0.48) ACACBACACA
SCHEMBL22365266 0.80 FFAR1 (0.58) FFAR1

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-3102198-B1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-08-26 — — EP disclosed
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