SCHEMBL3843748

SCHEMBL3843748

CC(C)N1CCC(Nc2ccc3[nH]c(C(=O)N4CCOCC4)cc3c2)C1

nearest known ligand 0.89

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 11/20 0.89
▸ POLB P06746 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SYK P43405 5/20 0.47

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 SCHEMBL2951266 0.99 HRH3 (0.88) HRH3POLBSMN1; SMN2MEN1KMT2A
SCHEMBL2947472 0.94 HRH3 (1.00) HRH3POLBSMN1; SMN2SYK
SCHEMBL3848464 0.89 HRH3 (0.70) HRH3MEN1KMT2ASYK
Hydrochloric Acid SCHEMBL2946801 0.88 HRH3 (0.69) HRH3MEN1KMT2ASYK
SCHEMBL2952603 0.85 HRH3 (0.83) HRH3MEN1KMT2ASYK
SCHEMBL2951314 0.85 HRH3 (0.64) HRH3MEN1KMT2ASYK
SCHEMBL2947010 0.84 HRH3 (0.82) HRH3MEN1KMT2ASYK
SCHEMBL2950101 0.83 HRH3 (0.76) HRH3POLBSMN1; SMN2SYK
SCHEMBL2943726 0.83 HRH3 (0.79) HRH3MEN1KMT2ASYK
SCHEMBL2952593 0.82 HRH3 (0.75) HRH3POLBSMN1; SMN2SYK

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 5 patents. 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
EP-1841734-A2 5-AMINOINDOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-10 — — EP claimed
WO-2006077024-A2 5-AMINOINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 — — WO claimed
EP-1841734-A2 5-AMINOINDOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-10 — — EP disclosed
WO-2006077024-A2 5-AMINOINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 — — WO disclosed
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