SCHEMBL27715554

SCHEMBL27715554

CCC(C)C(=N)C(=O)c1cc2cc(NC3CCN(C(C)C)CC3)ccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.64
▸ ROCK2 O75116 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ SYK P43405 3/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ VCP P55072 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL2950114 0.84 HRH3 (0.73) HRH3ROCK2CYP3A4SYKMEN1
SCHEMBL2951205 0.83 HRH3 (0.67) HRH3ROCK2CYP3A4SYKMEN1
SCHEMBL2943709 0.82 HRH3 (0.66) HRH3MEN1KMT2A
SCHEMBL2952637 0.80 HRH3 (0.66) HRH3ROCK2CYP3A4SYKMEN1
SCHEMBL2952603 0.80 HRH3 (0.83) HRH3SYKMEN1KMT2A
SCHEMBL2952638 0.79 HRH3 (0.67) HRH3ROCK2CYP3A4SYKMEN1
SCHEMBL27760291 0.79 HRH4 (0.47) HRH3SYKMEN1KMT2ATLR9
SCHEMBL2947010 0.79 HRH3 (0.82) HRH3SYKMEN1KMT2A
SCHEMBL2951314 0.78 HRH3 (0.64) HRH3ROCK2CYP3A4SYKMEN1
SCHEMBL2943726 0.78 HRH3 (0.79) HRH3SYKMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101107227-B 5-aminoindole derivatives HOFFMANN LA ROCHE 2010-09-22 — — CN claimed
CN-101107227-A 5-aminoindole derivatives HOFFMANN LA ROCHE (CH) 2008-01-16 — — CN claimed
CN-101107227-B 5-aminoindole derivatives HOFFMANN LA ROCHE 2010-09-22 — — CN disclosed
CN-101107227-A 5-aminoindole derivatives HOFFMANN LA ROCHE (CH) 2008-01-16 — — CN disclosed
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