SCHEMBL2907892

SCHEMBL2907892

Cc1c(N)ccc(C(C)C)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.42
TSHR P16473 3/20 0.42
PIK3CA P42336 1/20 0.42
LMNA P02545 2/20 0.37
SLC6A2 P23975 2/20 0.37
HTR2B P41595 2/20 0.37
TRPA1 O75762 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA1A P35348 1/20 0.37
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
GFER P55789 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 3/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 2/20 0.32
GABRA1 P14867 2/20 0.32

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
SCHEMBL117623 0.83 CYP3A4 (0.40) CYP3A4TSHRPIK3CALMNASLC6A2
SCHEMBL8602766 0.82 CYP3A4 (0.43) CYP3A4TSHRPIK3CAGAAALDH1A1
SCHEMBL62372 0.79 CYP3A4 (0.37) CYP3A4TSHRPIK3CALMNASLC6A2
SCHEMBL28455887 0.79 POLB (0.36) CYP3A4TSHRPIK3CALMNASLC6A2
SCHEMBL15012977 0.79 ALOX5AP (0.34) CYP3A4TSHRPIK3CALMNASLC6A2
SCHEMBL6406528 0.78 CYP3A4 (0.59) CYP3A4TSHRPIK3CALMNASLC6A2
SCHEMBL9511647 0.78 CYP3A4 (0.40) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL33944 0.78 CYP3A4 (0.62) CYP3A4TSHRPIK3CAGAAPOLB
SCHEMBL29384787 0.78 CYP3A4 (0.62) CYP3A4TSHRPIK3CAGAAPOLB
SCHEMBL19998489 0.77 LMNA (0.38) CYP3A4TSHRPIK3CALMNASLC6A2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3761942-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2021-01-13 EP disclosed
EP-3558212-A1 DIRECT DENTAL FILLING COMPOSITION Dentsply DeTrey GmbH (DE) 2019-10-30 EP disclosed
EP-3554457-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2019-10-23 EP disclosed
EP-3555110-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2019-10-23 EP disclosed
WO-2019170640-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2019-09-12 WO disclosed
EP-3518863-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2019-08-07 EP disclosed
WO-2019136060-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2019-07-11 WO disclosed
EP-3478244-A1 DENTAL COMPOSITION COMPRISING A DENTAL FILLER CONTAINING A STRUCTURAL FILLER AND SILANATED GLASS FLAKES Dentsply DeTrey GmbH (DE) 2019-05-08 EP disclosed
EP-3458014-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2019-03-27 EP disclosed
WO-2018114540-A1 DIRECT DENTAL FILLING COMPOSITION DENTSPLY DETREY GMBH (DE) 2018-06-28 WO disclosed
WO-2017198843-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2017-11-23 WO disclosed
WO-2017042333-A1 POLYMERIZABLE POLYACIDIC POLYMER DENTSPLY DETREY GMBH (DE) 2017-03-16 WO disclosed
WO-2016202744-A1 AQUEOUS DENTAL GLASS IONOMER COMPOSITION DENTSPLY DETREY GMBH (DE) 2016-12-22 WO disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
EP-2217104-A2 DECORATED PIECES WITH GEM MATERIALS Grenier De Cardenal, Laurent (AE) 2010-08-18 EP disclosed
WO-2010033515-A1 SINGLE-CONTAINER DENTAL ADHESIVE DANVILLE MATERIALS, INC. (US) 2010-03-25 WO disclosed
WO-2009071966-A1 DECORATED PIECES WITH GEM MATERIALS GRENIER DE CARDENAL LAURENT (AE) 2009-06-11 WO disclosed
WO-2009071704-A2 DECORATED PIECES WITH GEM MATERIALS GRENIER DE CARDENAL LAURENT (AE) 2009-06-11 WO disclosed
WO-2007041587-A2 BIOMEDICAL BOND ENHANCER DANVILLE MATERIALS, INC. (US) 2007-04-12 WO disclosed