SCHEMBL15909625

SCHEMBL15909625

CC1(C)c2cccc3ccc4cc(-c5ccc6cc(N(c7ccc(C#N)cc7)c7ccc(-c8ccccc8)cc7)ccc6c5)cc1c4c23

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.37
PGR P06401 3/20 0.35
PDK2 Q15119 2/20 0.35
MYC P01106 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
SCN9A Q15858 1/20 0.32
PLAU P00749 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ALDH1A3 P47895 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32

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
SCHEMBL15909636 0.97 HRH3 (0.35) HRH3PGRPDK2MYCCYP17A1
SCHEMBL15909635 0.96 HRH3 (0.36) HRH3PGRPDK2MYCGABRA1
SCHEMBL17849647 0.96 MYC (0.37) HRH3PGRPDK2MYCGABRA1
SCHEMBL17849668 0.94 HRH3 (0.37) HRH3PGRPDK2MYCGABRA1
SCHEMBL15909665 0.94 HRH3 (0.35) HRH3PGRPDK2MYCGABRA1
SCHEMBL17849640 0.90 LPL (0.36) CYP11B1CYP11B2LPLLIPG
SCHEMBL15909652 0.89 MYC (0.39) HRH3PGRPDK2MYCGABRA1
SCHEMBL15909631 0.89 HRH3 (0.33) HRH3PGRPDK2ABCG2
SCHEMBL15429309 0.88 HRH3 (0.33) HRH3
SCHEMBL17849633 0.88 LPL (0.35) LPLLIPG

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-20140209872-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed
US-20140209872-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed