SCHEMBL7965389

SCHEMBL7965389

Cc1ccc(C)c(Cc2nn(CCC=O)c(=O)c3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 4/20 0.45
▸ ADRA1A P35348 4/20 0.44
▸ HRH1 P35367 4/20 0.44
▸ ADRA1B P35368 4/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.44
▸ IL15 P40933 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ CNKSR1 Q969H4 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL6115844 0.84 CMA1 (0.63) CMA1SMN1; SMN2POLBALDH1A1HTT
SCHEMBL7963569 0.84 CMA1 (0.48) CMA1ADRA1AHRH1ADRA1BHRH3
SCHEMBL7960273 0.79 CMA1 (0.66) CMA1ADRA1AHRH1ADRA1BHRH3
SCHEMBL7960664 0.73 HRH1 (0.66) ADRA1AHRH1ADRA1BHRH3ALDH1A1
SCHEMBL7967791 0.65 CMA1 (0.56) CMA1SMN1; SMN2POLBALDH1A1
SCHEMBL982672 0.63 GAA (0.47) TP53POLBALDH1A1
SCHEMBL98215 0.63 TAAR1 (0.57) TP53POLBALDH1A1HTT
SCHEMBL18900941 0.63 CMA1 (0.79) CMA1
SCHEMBL18900851 0.63 CMA1 (0.72) CMA1SMN1; SMN2
SCHEMBL16363659 0.63 TSHR (0.64) ADRA1AHRH1ADRA1BHRH3POLB

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
WO-2010019417-A2 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 — — WO disclosed
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