SCHEMBL20160936

SCHEMBL20160936

CCC(N)C1CCC(c2ccc(C#N)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.51
GRIA2 P42262 1/20 0.51
GRIA3 P42263 1/20 0.51
DPP4 P27487 3/20 0.41
DPP9 Q86TI2 3/20 0.41
DPP7 Q9UHL4 3/20 0.41
USP30 Q70CQ3 3/20 0.40
HRH3 Q9Y5N1 3/20 0.37
CYP2A6 P11509 1/20 0.37
EPHX1 P07099 1/20 0.36
KCNH2 Q12809 1/20 0.36
HSD11B1 P28845 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
EGLN2 Q96KS0 1/20 0.34

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
SCHEMBL11618384 0.83 GRIA1 (0.62) GRIA1GRIA2GRIA3USP30HRH3
SCHEMBL12807822 0.82 GRIA1 (0.51) GRIA1GRIA2GRIA3USP30HRH3
SCHEMBL20280445 0.81 GRIA1 (0.38) GRIA1GRIA2GRIA3DPP4DPP9
SCHEMBL21788435 0.81 SLC18A3 (0.36) DRD2DRD3MEN1MAPK1KMT2A
SCHEMBL18458911 0.80 DRD2 (0.49) DRD2MEN1KMT2A
SCHEMBL11526595 0.79 GRIA2 (0.58) GRIA1GRIA2GRIA3USP30HRH3
SCHEMBL9773916 0.79 GRIA1 (0.49) GRIA1GRIA2GRIA3USP30HRH3
SCHEMBL9773926 0.79 GRIA1 (0.49) GRIA1GRIA2GRIA3USP30HRH3
SCHEMBL11526597 0.79 GRIA2 (0.58) GRIA1GRIA2GRIA3USP30HRH3
SCHEMBL11621038 0.79 GRIA1 (0.57) GRIA1GRIA2GRIA3USP30HRH3

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 8 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-10975304-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2021-04-13 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
US-20180134961-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-05-17 US disclosed