SCHEMBL29590004

SCHEMBL29590004

C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)CN(C(=O)OCc1cnc3[nH]ccc3c1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 8/20 0.59
▸ ROCK2 O75116 1/20 0.39
▸ MAP3K5 Q99683 2/20 0.38
▸ TMEM97 Q5BJF2 4/20 0.38
▸ SIGMAR1 Q99720 4/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ ADRA2C P18825 2/20 0.38
▸ HRH2 P25021 2/20 0.38
▸ HRH1 P35367 2/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR1E P28566 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ GHSR Q92847 1/20 0.36

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
SCHEMBL29589992 0.83 TMEM97 (0.53) BCL2MAP3K5TMEM97SIGMAR1HTR1A
SCHEMBL29589768 0.78 TMEM97 (0.57) BCL2MAP3K5TMEM97SIGMAR1HTR1A
SCHEMBL17890696 0.75 BCL2 (1.00) BCL2
SCHEMBL29589723 0.73 BCL2 (0.52) BCL2
SCHEMBL29589765 0.73 BCL2 (0.49) BCL2
SCHEMBL29589757 0.72 BCL2 (0.42) BCL2
SCHEMBL29589684 0.71 BCL2 (0.51) BCL2
SCHEMBL29590813 0.71 BCL2 (0.55) BCL2
SCHEMBL29590949 0.71 NAMPT (0.42) BCL2
SCHEMBL29589831 0.71 OPRM1 (0.43) BCL2

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
CN-109456324-B Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-04-22 — — CN disclosed
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