SCHEMBL16604654

SCHEMBL16604654

CC1(C)c2cc(-c3ccc4c5c3ccc3cccc(c35)n4-c3ccccc3)ccc2-c2ccc(-c3nc4cc(F)ccc4n3-c3ccccc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.37
▸ GRIA1 P42261 1/20 0.37
▸ CACNG8 Q8WXS5 1/20 0.37
▸ CACNG2 Q9Y698 1/20 0.37
▸ HRH3 Q9Y5N1 8/20 0.36
▸ SIRT2 Q8IXJ6 2/20 0.34
▸ SIRT1 Q96EB6 2/20 0.34
▸ PDE10A Q9Y233 2/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ MAT2A P31153 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL16604598 0.87 ESR1 (0.42) PTGER4GRIA1CACNG8CACNG2SIRT2
SCHEMBL16604639 0.83 PDE10A (0.37) PTGER4PDE10ARXFP1HDAC1HDAC8
SCHEMBL16604637 0.83 ESR1 (0.39) PTGER4GRIA1CACNG8CACNG2SIRT2
SCHEMBL16604629 0.81 ESR1 (0.41) PTGER4GRIA1CACNG8CACNG2SIRT2
SCHEMBL15976940 0.81 — —
SCHEMBL16604636 0.80 ESR1 (0.46) PTGER4GRIA1CACNG8CACNG2PDE10A
SCHEMBL15706166 0.79 NR3C1 (0.31) —
SCHEMBL16604577 0.79 GRIA1 (0.56) GRIA1CACNG8CACNG2RXFP1HDAC1
SCHEMBL15706196 0.79 NR3C1 (0.31) —
SCHEMBL12912474 0.79 GRIA1 (0.46) PTGER4GRIA1CACNG8CACNG2HRH3

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-9461261-B2 Organic compounds and organic light-emitting devices including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-10-04 — — US disclosed
US-9461261-B2 Organic compounds and organic light-emitting devices including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-10-04 — — US disclosed
US-20150090963-A1 ORGANIC COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-02 — — US disclosed
US-20150090963-A1 ORGANIC COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-02 — — US disclosed
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