SCHEMBL20406527

SCHEMBL20406527

CCc1ncccc1-c1cccnc1Oc1ccc(CCc2cnn(CC)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ PDE10A Q9Y233 5/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ BTK Q06187 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PDGFRB P09619 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ CYSLTR1 Q9Y271 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL20394291 0.89 GAA (0.45) GAAPDCD1CD274PDE10APDE1A
SCHEMBL20406760 0.85 PDE10A (0.40) PDE10AMAPTL3MBTL1GRM2CYSLTR1
SCHEMBL20406528 0.81 PDE10A (0.37) GAAPDE10AMAPTL3MBTL1GRM2
SCHEMBL20406576 0.76 PDE1A (0.42) CD274PDE10APDE1APDE1BPDE1C
SCHEMBL20406516 0.75 KDM4E (0.38) L3MBTL1MEN1KMT2A
SCHEMBL20406167 0.75 GRM2 (0.41) PDE10AMAPTL3MBTL1GRM2CYSLTR1
SCHEMBL20406415 0.73 AHR (0.39) PDE10AMAPTMEN1KMT2A
SCHEMBL20394233 0.72 PDE10A (0.41) PDE10AL3MBTL1MEN1KMT2A
SCHEMBL20406654 0.72 RORC (0.44) PDE10AMAPTMEN1KMT2A
SCHEMBL20406230 0.71 MEN1 (0.37) PDE10AMAPTL3MBTL1MEN1KMT2A

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-3351533-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2018-07-25 — — EP disclosed
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