SCHEMBL28509093

SCHEMBL28509093

COC(=O)C(C)COc1ncccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 17/20 0.46
▸ SSTR1 P30872 4/20 0.46
▸ P2RX3 P56373 1/20 0.45
▸ SLC22A12 Q96S37 1/20 0.44
▸ CACNA1F O60840 1/20 0.42
▸ CACNA1D Q01668 1/20 0.42
▸ CACNA1S Q13698 1/20 0.42
▸ CACNA1C Q13936 1/20 0.42

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
SCHEMBL29183178 0.83 SSTR4 (0.43) SSTR4SSTR1
SCHEMBL29183191 0.82 SSTR4 (0.48) SSTR4SSTR1
SCHEMBL5709016 0.77 SLC22A12 (0.47) SSTR4SSTR1SLC22A12
SCHEMBL28202257 0.77 SLC22A12 (0.47) SSTR4SSTR1SLC22A12
SCHEMBL27514961 0.75 MAPT (0.51) P2RX3
SCHEMBL30783259 0.75 SSTR4 (0.59) SSTR4SSTR1
SCHEMBL21748907 0.75 SSTR4 (0.59) SSTR4SSTR1
SCHEMBL4695895 0.73 ALDH1A1 (0.56) SLC22A12
SCHEMBL16379337 0.73 ALDH1A1 (0.50) —
SCHEMBL2825181 0.73 KDM4E (0.53) SSTR4SSTR1

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
CN-112236423-A Piperidinyl-3- (aryloxy) propanamides and propionates 武田药品工业株式会社 2021-01-15 — — CN disclosed
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