SCHEMBL1968010

SCHEMBL1968010

c1ccc(CCN(c2ccccn2)c2ccccn2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.59
CYP2C19 P33261 2/20 0.59
HRH1 P35367 2/20 0.52
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LIN28A Q9H9Z2 1/20 0.50
KDM4E B2RXH2 2/20 0.47
TSHR P16473 2/20 0.47
POLB P06746 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45

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
SCHEMBL57491 0.83 CYP2D6 (0.80) CYP2D6CYP2C19HRH1CYP1A2TDP1
SCHEMBL1392850 0.81 POLB (0.63) CYP2D6CYP2C19HRH1CYP1A2CYP3A4
SCHEMBL230049 0.80 MAPT (0.64) CYP2D6CYP2C19HRH1CYP1A2CYP3A4
SCHEMBL30522277 0.80 CYP2D6 (0.46) CYP2D6CYP2C19HRH1CYP1A2CYP3A4
SCHEMBL29033526 0.80 CYP2D6 (0.46) CYP2D6CYP2C19HRH1CYP1A2CYP3A4
SCHEMBL4961822 0.79 TDP1 (0.63) CYP2D6CYP2C19HRH1CYP1A2CYP3A4
SCHEMBL29485678 0.76 HRH1 (0.73) CYP2D6CYP2C19HRH1CYP1A2TDP1
SCHEMBL230753 0.76 HRH1 (0.73) CYP2D6CYP2C19HRH1CYP1A2TDP1
SCHEMBL11701437 0.76 CYP2D6 (0.63) CYP2D6CYP2C19HRH1TDP1MAPT
SCHEMBL229946 0.76 CYP2D6 (0.69) CYP2D6CYP2C19HRH1CYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765381-B1 BLEACH ACTIVATION UNILEVER NV (NL) 1999-08-11 EP claimed
EP-3390486-A1 OXIDATIVELY CURABLE COATING COMPOSITION Catexel Limited (GB) 2018-10-24 EP disclosed
EP-3307940-A1 OXIDATIVE METHOD Catexel Technologies Limited (GB) 2018-04-18 EP disclosed
WO-2017103620-A1 OXIDATIVELY CURABLE COATING COMPOSITION CATEXEL LIMITED (GB) 2017-06-22 WO disclosed
WO-2016198890-A1 OXIDATIVE METHOD CHEMSENTI LIMITED (GB) 2016-12-15 WO disclosed
EP-3033409-A1 COMPOSITION Chemsenti Limited (GB) 2016-06-22 EP disclosed
WO-2015022502-A1 COMPOSITION CHEMSENTI LIMITED (GB) 2015-02-19 WO disclosed
EP-2038356-B8 LIQUID HARDENING UNILEVER PLC (GB) 2011-06-22 EP disclosed
US-20020013246-A1 Composition and method for bleaching laundry fabrics UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-01-31 US disclosed
US-20020010121-A1 Bleaching and dye transfer inhibiting composition and method for laundry fabrics UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-01-24 US disclosed