SCHEMBL20006678

SCHEMBL20006678

CCCc1ccc2cc(-c3ccc(C#Cc4cc(F)ccc4C)cc3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.43
FFAR1 O14842 4/20 0.39
ALK Q9UM73 1/20 0.35
CHRM2 P08172 1/20 0.33
S1PR1 P21453 1/20 0.33
FPR1 P21462 1/20 0.33
FPR3 P25089 1/20 0.33
GPR183 P32249 1/20 0.33
APLNR P35414 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GPR65 Q8IYL9 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
SCHEMBL20006844 0.83 HRH3 (0.39) HRH3FFAR1FFAR4
SCHEMBL19999396 0.80 HRH3 (0.39) HRH3FFAR1
SCHEMBL19999457 0.79 HRH3 (0.38) HRH3FFAR1
SCHEMBL3165761 0.79 HRH3 (0.47) HRH3
SCHEMBL3162460 0.79 HRH3 (0.47) HRH3
SCHEMBL20006811 0.78 FFAR1 (0.48) FFAR1CHRM2S1PR1FPR1FPR3
SCHEMBL19999444 0.78 HRH3 (0.37) HRH3FFAR1FFAR4
SCHEMBL19999532 0.78 HRH3 (0.37) HRH3FFAR1FFAR4
SCHEMBL20006847 0.77 HRH3 (0.36) HRH3FFAR1FFAR4
SCHEMBL9741983 0.76 ASIC3 (0.49) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208249-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-02-19 US disclosed
US-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed