SCHEMBL1728531

SCHEMBL1728531

CN(C)Cc1ccc(C(C)(C)c2ccc(CN(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.58
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TAAR1 Q96RJ0 2/20 0.50
HTT P42858 2/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
LSS P48449 1/20 0.44
KCNH2 Q12809 2/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
ESR1 P03372 1/20 0.42
CYP3A4 P08684 1/20 0.42
AR P10275 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL798094 0.86 HRH3 (0.58) HRH3TSHRALDH1A1TAAR1CYP1A2
SCHEMBL11320124 0.83 HRH3 (0.61) HRH3TSHRALDH1A1TAAR1CYP1A2
SCHEMBL659509 0.82 HRH3 (0.82) HRH3TSHRALDH1A1TAAR1NOS3
SCHEMBL15125623 0.80 HRH3 (0.71) HRH3TSHRALDH1A1TAAR1CYP1A2
SCHEMBL10178754 0.80 HRH3 (0.52) HRH3TSHRALDH1A1TAAR1MAPK1
SCHEMBL10261974 0.79 LSS (0.63) HRH3TSHRALDH1A1TAAR1LSS
SCHEMBL11954967 0.76 HRH3 (0.58) HRH3TSHRALDH1A1TAAR1CYP1A2
SCHEMBL2056267 0.74 HRH3 (0.68) HRH3TSHRALDH1A1TAAR1LSS
SCHEMBL12679031 0.74 HRH3 (1.00) HRH3TSHRALDH1A1TAAR1NOS3
SCHEMBL24022682 0.73 HRH3 (0.44) HRH3TSHRALDH1A1TAAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1829910-B1 LOW WATER-ABSORPTIVE POLYIMIDE RESIN AND METHOD FOR PRODUCING SAME MITSUBISHI GAS CHEMICAL CO (JP) 2011-11-30 EP disclosed
US-7659360-B2 Low water-absorptive polyimide resin and method for producing same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-02-09 US disclosed
US-20080132667-A1 Low Water-Absorptive Polyimide Resin and Method for Producing Same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-06-05 US disclosed
EP-1829910-A1 LOW WATER-ABSORPTIVE POLYIMIDE RESIN AND METHOD FOR PRODUCING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-09-05 EP disclosed