SCHEMBL3853140

SCHEMBL3853140

CC(C)N1CCC(Nc2ccc3[nH]c(C(=O)C4CCNCC4)cc3c2)C1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.59
▸ HRH4 Q9H3N8 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ROCK2 O75116 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ SYK P43405 3/20 0.39
▸ VCP P55072 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
Hydrochloric Acid SCHEMBL2950926 0.99 HRH3 (0.58) HRH3HRH4MEN1KMT2AROCK2
SCHEMBL3843718 0.94 HRH3 (0.58) HRH3HRH4MEN1KMT2AROCK2
Hydrochloric Acid SCHEMBL2951311 0.93 HRH3 (0.57) HRH3HRH4MEN1KMT2AROCK2
SCHEMBL2951314 0.87 HRH3 (0.64) HRH3MEN1KMT2AROCK2CYP3A4
SCHEMBL2951713 0.82 HRH3 (0.58) HRH3MEN1KMT2A
SCHEMBL3843748 0.81 HRH3 (0.89) HRH3MEN1KMT2ASYK
SCHEMBL3848464 0.81 HRH3 (0.70) HRH3HRH4MEN1KMT2ASYK
SCHEMBL2950114 0.80 HRH3 (0.73) HRH3MEN1KMT2AROCK2CYP3A4
Hydrochloric Acid SCHEMBL2946801 0.80 HRH3 (0.69) HRH3HRH4MEN1KMT2ASYK
Hydrochloric Acid SCHEMBL2951266 0.80 HRH3 (0.88) HRH3MEN1KMT2ASYK

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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