SCHEMBL15909649

SCHEMBL15909649

CC1(C)c2cccc3ccc4cc(-c5ccc(N(c6ccc(C#N)cc6)c6ccc(-c7cccc8cccnc78)cc6)c6ccccc56)cc1c4c23

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 0.39
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33
HTR2C P28335 3/20 0.32
HTR2A P28223 2/20 0.32
HTR2B P41595 2/20 0.32
SLC40A1 Q9NP59 1/20 0.31
PDK2 Q15119 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL15909675 0.89 FABP1 (0.40) FABP1AVPR2AVPR1AHTR2CHTR2A
SCHEMBL15909629 0.89 FABP1 (0.40) FABP1AVPR2AVPR1AHTR2CHTR2A
SCHEMBL15909620 0.89 FABP1 (0.40) FABP1AVPR2AVPR1AHTR2CHTR2A
SCHEMBL17849672 0.87 PDK2 (0.35) PDK2
SCHEMBL15909643 0.86 CYP11B2 (0.34) PDK2
SCHEMBL15909642 0.86 PDK2 (0.34) PDK2
SCHEMBL17849652 0.85 PIM1 (0.31) PDK2
SCHEMBL15909632 0.85 CA1 (0.32) PDK2
SCHEMBL15909627 0.84 KDM4E (0.36) FABP1SLC40A1PDK2FNTAFNTB
SCHEMBL17849657 0.82 ABCG2 (0.36) PDK2

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