SCHEMBL9385334

SCHEMBL9385334

CNCCOc1ccc(OC)c2c1CCC(=O)N2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.43
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE7A Q13946 1/20 0.41
PDE1C Q14123 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
L3MBTL4 Q8NA19 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38

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
SCHEMBL9386393 0.87 ADRB3 (0.44) ADRB3
SCHEMBL9385975 0.87 HTR1B (0.41) ADRB3PDE1APDE1BPDE4DPDE7A
SCHEMBL9384972 0.84 ADRB3 (0.40) ADRB3PDE4DALDH1A1
SCHEMBL9385137 0.84 ADRB3 (0.40) ADRB3PDE4DALDH1A1
SCHEMBL9385378 0.83 ALDH1A1 (0.39) ADRB3PDE1APDE1BPDE4DPDE7A
SCHEMBL9388851 0.83 TIPARP (0.39) ADRB3PDE1APDE1BPDE4DPDE7A
SCHEMBL7097075 0.81 KDM4E (0.50) ADRB3PDE4DALDH1A1
SCHEMBL9388829 0.80 ADRB3 (0.43) ADRB3
SCHEMBL9389540 0.78 ADRB3 (0.46) ADRB3
SCHEMBL9386881 0.77 ADRB1 (0.55) PDE1APDE1BPDE4DPDE7APDE1C

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-1994003425-A2 CARBOSTYRIL DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIA SYNTEX (U.S.A.) INC. (US) 1994-02-17 WO disclosed