SCHEMBL3457590

SCHEMBL3457590

CN1CCOB(c2ccc(Cl)cc2)OCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
KMT2A Q03164 3/20 0.39
HTT P42858 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 3/20 0.39
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
BCL2 P10415 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL3457445 0.83 KMT2A (0.36) KMT2AMEN1HRH3OPRM1CYP2D6
SCHEMBL500809 0.82 LMNA (0.40) LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL3457557 0.81 LPL (0.41) KMT2AHTTL3MBTL1MEN1LMNA
SCHEMBL2075021 0.81 ALDH1A1 (0.41) POLBHRH3LMNATDP1ALDH1A1
SCHEMBL12989225 0.81 POLB (0.39) POLBCHRM2ADRA2ACHRM1DRD1
SCHEMBL3457424 0.80 KMT2A (0.38) KMT2AHTTMEN1SLC6A2SLC6A4
SCHEMBL31336176 0.79 NPSR1 (0.42) DRD1DRD3TSHRALDH1A1SMN1; SMN2
SCHEMBL31336177 0.79 NPSR1 (0.42) DRD1DRD3TSHRALDH1A1SMN1; SMN2
SCHEMBL31336174 0.79 ALDH1A1 (0.38) KMT2AL3MBTL1MEN1HRH3CYP2D6
SCHEMBL31336364 0.78 GAA (0.33) L3MBTL1HRH3TDP1SMN1; SMN2GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1582250-B2 Absorbent with improved oxidation resistance and process for deacidifying fluid fluxes BASF SE (DE) 2022-03-09 EP disclosed
EP-1582250-B1 Absorbent with improved oxidation resistance and process for deacidifying fluid fluxes BASF SE (DE) 2013-05-15 EP disclosed
US-7666813-B2 an aliphatic amine, in particular an alkanolamine, and a non-hydroquinoid antioxidant for removal of CO2, H2S, SO2, CS2, HCN, COS, disulfides or mercaptans as impurities in reaction gases formed in the oxidation of organic materials to prevent the emission of above gases BASF AKTIENGESELLSCHAFT (DE) 2010-02-23 US disclosed
EP-1582250-A2 Absorbent with improved ocidation resistance and process for deacidifying fluid fluxes BASF AKTIENGESELLSCHAFT (DE) 2005-10-05 EP disclosed
US-20050202967-A1 an aliphatic amine, in particular an alkanolamine, and a non-hydroquinoid antioxidant for removal of CO2, H2S, SO2, CS2, HCN, COS, disulfides or mercaptans as impurities in reaction gases formed in the oxidation of organic materials to prevent the emission of above gases BASF AKTIENGESELLSCHAFT (DE) 2005-09-15 US disclosed