SCHEMBL20280562

SCHEMBL20280562

CCC(N)c1ccc(-c2ccc(C#Cc3ccc(F)c(F)c3)cc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.39
▸ AKR1C3 P42330 10/20 0.36
▸ AKR1C2 P52895 10/20 0.36
▸ CYP2C19 P33261 3/20 0.35
▸ APP P05067 3/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PTGS1 P23219 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ FABP2 P12104 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ AKR1C4 P17516 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ SLC22A6 Q4U2R8 1/20 0.35

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
SCHEMBL20280563 0.90 CYP2C19 (0.38) AKR1C3AKR1C2CYP2C19APPCYP2C9
SCHEMBL16649746 0.78 SLC6A4 (0.47) —
SCHEMBL14373864 0.78 SLC6A4 (0.47) —
SCHEMBL14373888 0.78 SLC6A4 (0.47) —
SCHEMBL28463023 0.78 AKR1C3 (0.55) AKR1C3AKR1C2CYP2C19CYP2C9PTGS1
Hydrochloric Acid SCHEMBL7780665 0.77 SLC6A4 (0.46) —
SCHEMBL20160764 0.75 KIF11 (0.43) AKR1C3AKR1C2CYP2C19APPCYP2C9
SCHEMBL14228611 0.75 GRM5 (0.46) GRM5PTGS1PTGS2FFAR1TRPV3
SCHEMBL14228880 0.75 GRM5 (0.41) GRM5FFAR1
SCHEMBL20160766 0.74 CYP2C19 (0.38) AKR1C3AKR1C2CYP2C19APPCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174431-B2 Liquid crystal composition and liquid crystal display device DIC CORPORATION (JP) 2021-11-16 — — US disclosed
US-10913895-B2 Liquid crystal composition and liquid crystal display device DIC CORPORATION (JP) 2021-02-09 — — US disclosed
US-10913896-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2021-02-09 — — US disclosed
US-10752838-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2020-08-25 — — US disclosed
US-20180171229-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2018-06-21 — — US disclosed
US-20180171234-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-06-21 — — US disclosed
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