SCHEMBL18458598

SCHEMBL18458598

CCC(N)c1ccc(-c2ccc(-c3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.41
▸ DPP4 P27487 4/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ CYP17A1 P05093 2/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ GCGR P47871 1/20 0.34
▸ NEK1 Q96PY6 7/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ USP7 Q93009 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
SCHEMBL21784989 0.90 SLC6A4 (0.46) SLC6A4DPP4DPP8CYP17A1AKR1C3
SCHEMBL18458616 0.88 SLC6A4 (0.41) SLC6A4DPP4DPP8CYP17A1NEK1
SCHEMBL18459127 0.83 SLC6A4 (0.46) SLC6A4DPP4DPP8CYP17A1
SCHEMBL14373888 0.79 SLC6A4 (0.47) SLC6A4DPP4DPP8
SCHEMBL14373864 0.79 SLC6A4 (0.47) SLC6A4DPP4DPP8
SCHEMBL16649746 0.79 SLC6A4 (0.47) SLC6A4DPP4DPP8
Hydrochloric Acid SCHEMBL7780665 0.78 SLC6A4 (0.46) SLC6A4DPP4
SCHEMBL26482548 0.76 SLC6A4 (0.35) SLC6A4DPP4DPP8CYP17A1NEK1
SCHEMBL18416776 0.75 CYP17A1 (0.46) CYP17A1GCGRCYP11B1CYP11B2USP7
SCHEMBL16258045 0.75 CYP17A1 (0.46) CYP17A1GCGRCYP11B1CYP11B2USP7

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-10344211-B2 Liquid crystal composition and liquid crystal display element using same DIC CORPORATION (JP) 2019-07-09 — — US disclosed
US-10208250-B2 Liquid crystal composition and liquid crystal display element using same DIC CORPORATION (JP) 2019-02-19 — — US disclosed
US-20170355906-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2017-12-14 — — US disclosed
US-20170029700-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2017-02-02 — — US disclosed
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