SCHEMBL15909670

SCHEMBL15909670

CC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccc(C#N)cc4)cc3)cc3ccc4cc(-c5ccccn5)cc1c4c23

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.37
TGFBR1 P36897 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
FFAR1 O14842 1/20 0.36
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
MYC P01106 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN9A Q15858 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

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
SCHEMBL15909804 0.90 GRM5 (0.42) GRM5TGFBR1PTGDR2MAPK13MAPK12
SCHEMBL15909652 0.89 MYC (0.39) PTGDR2SMN1; SMN2LMNAMYCSCN9A
SCHEMBL15909665 0.85 HRH3 (0.35) PTGDR2MYCSCN9AGABRA1GABRG2
SCHEMBL15909646 0.85 PTGDR2 (0.45) PTGDR2MYCSCN9AGABRA1GABRG2
SCHEMBL15909664 0.85 CYP11B2 (0.50) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL15909772 0.85 GRM5 (0.43) GRM5TGFBR1PTGDR2MAPK13MAPK12
SCHEMBL17849666 0.84 CYP11B2 (0.51) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL15909621 0.83 PARP1 (0.32) GRM5TGFBR1HTTSMN1; SMN2FFAR1
SCHEMBL17849647 0.83 MYC (0.37) PTGDR2SMN1; SMN2LMNAMYCSCN9A
SCHEMBL17849668 0.83 HRH3 (0.37) PTGDR2SMN1; SMN2LMNAMYCSCN9A

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