SCHEMBL3848464

SCHEMBL3848464

CC(C)N1CCC(Nc2ccc3[nH]c(C(=O)N4CCSCC4)cc3c2)C1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.70
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SYK P43405 3/20 0.47
▸ HRH4 Q9H3N8 3/20 0.45

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
Hydrochloric Acid SCHEMBL2946801 0.99 HRH3 (0.69) HRH3MEN1KMT2ASYKHRH4
SCHEMBL2943726 0.94 HRH3 (0.79) HRH3MEN1KMT2ASYKHRH4
SCHEMBL3843748 0.89 HRH3 (0.89) HRH3MEN1KMT2ASYK
Hydrochloric Acid SCHEMBL2951266 0.88 HRH3 (0.88) HRH3MEN1KMT2ASYK
SCHEMBL2952603 0.85 HRH3 (0.83) HRH3MEN1KMT2ASYKHRH4
SCHEMBL2951314 0.85 HRH3 (0.64) HRH3MEN1KMT2ASYK
SCHEMBL2947010 0.84 HRH3 (0.82) HRH3MEN1KMT2ASYKHRH4
SCHEMBL2947472 0.83 HRH3 (1.00) HRH3SYK
SCHEMBL2942320 0.82 HRH3 (0.78) HRH3MEN1KMT2ASYKHRH4
SCHEMBL2949179 0.82 HRH3 (0.78) HRH3MEN1KMT2ASYKHRH4

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-1841734-B1 5-AMINOINDOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-29 — — EP claimed
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