SCHEMBL20209645

SCHEMBL20209645

CCC(N)c1ccc(-c2ccc(CCc3ccc(C)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
KCNH2 Q12809 2/20 0.41
FDFT1 P37268 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
DAO P14920 1/20 0.36
CHRNA7 P36544 1/20 0.35
BACE1 P56817 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CYP17A1 P05093 1/20 0.35
AGXT P21549 1/20 0.34
CHKA P35790 1/20 0.34
GRIA4 P48058 1/20 0.34
FFAR1 O14842 1/20 0.33

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
SCHEMBL20209648 0.87 SLC6A4 (0.47) SLC6A4CYP1A2TAAR1KCNH2CYP2D6
SCHEMBL20209754 0.85 AKR1C3 (0.39) SLC6A4CYP1A2CYP2A6TAAR1CYP2C19
SCHEMBL3865060 0.84 SLC6A4 (0.59) SLC6A4CYP1A2CYP2A6TAAR1CYP2D6
SCHEMBL3863807 0.84 SLC6A4 (0.59) SLC6A4CYP1A2CYP2A6TAAR1CYP2D6
SCHEMBL8286101 0.84 SLC6A4 (0.59) SLC6A4CYP1A2CYP2A6TAAR1CYP2D6
Hydrochloric Acid SCHEMBL4933575 0.82 SLC6A4 (0.57) SLC6A4CYP1A2CYP2A6TAAR1CYP2D6
Hydrochloric Acid SCHEMBL4935216 0.82 SLC6A4 (0.57) SLC6A4CYP1A2CYP2A6TAAR1CYP2D6
SCHEMBL22820146 0.81 SLC6A4 (0.52) SLC6A4CYP1A2CYP2A6TAAR1CYP2D6
SCHEMBL22648057 0.79 SLC6A4 (0.53) SLC6A4CYP1A2TAAR1CYP2D6CYP2C19
SCHEMBL19263826 0.78 CYP1A2 (0.59) CYP1A2CYP2A6TAAR1KCNH2FDFT1

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
US-11326103-B2 Liquid crystal display device DIC CORPORATION (JP) 2022-05-10 US disclosed
US-20200354633-A1 LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2020-11-12 US disclosed
US-20200071617-A1 LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2020-03-05 US disclosed
US-20180148647-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY USING SAME DIC CORPORATION (JP) 2018-05-31 US disclosed