SCHEMBL11434077

SCHEMBL11434077

O=C(CCS)N1CCCCC1CO

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CHRM2 P08172 3/20 0.49
▸ CHRM4 P08173 3/20 0.49
▸ CHRM1 P11229 3/20 0.49
▸ CHRM3 P20309 3/20 0.49
▸ DPP4 P27487 1/20 0.44
▸ DPP8 Q6V1X1 1/20 0.44
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HPGD P15428 1/20 0.40
▸ EPHX2 P34913 1/20 0.39

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
SCHEMBL11433347 0.95 POLB (0.61) POLBL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL21662979 0.85 POLB (0.58) POLBL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL12975402 0.79 POLB (0.58) POLBL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL15808670 0.79 POLB (0.58) POLBL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL4124880 0.78 MEN1 (0.57) POLBL3MBTL1NPC1RAB9AMEN1
SCHEMBL4778287 0.77 L3MBTL1 (0.67) POLBL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL6293568 0.77 POLB (0.61) POLBL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL11892686 0.77 POLB (0.61) POLBL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL11892689 0.77 POLB (0.61) POLBL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL30484008 0.77 POLB (0.61) POLBL3MBTL1CHRM2CHRM4CHRM1

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-4206122-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1980-06-03 — — US disclosed
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