SCHEMBL15869717

SCHEMBL15869717

c1ccc(COc2cccc3c4c([nH]c23)C[C@@H]2CCC[C@H]4N2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
MCHR1 Q99705 2/20 0.45
HTR6 P50406 4/20 0.40
PIK3CG P48736 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
HTR1A P08908 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
LTA4H P09960 1/20 0.38
PLA2G2A P14555 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM1A O60341 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL15869675 1.00 SIGMAR1 (0.45) SIGMAR1MCHR1HTR6PIK3CGADORA3
SCHEMBL15869674 1.00 SIGMAR1 (0.45) SIGMAR1MCHR1HTR6PIK3CGADORA3
SCHEMBL15869716 0.77 SIGMAR1 (0.50) SIGMAR1PIK3CGADORA3HTR1ASLC6A2
SCHEMBL15869659 0.77 SIGMAR1 (0.50) SIGMAR1PIK3CGADORA3HTR1ASLC6A2
SCHEMBL15869658 0.77 SIGMAR1 (0.50) SIGMAR1PIK3CGADORA3HTR1ASLC6A2
SCHEMBL15869581 0.73 SIGMAR1 (0.57) SIGMAR1MCHR1ADORA3
SCHEMBL15869580 0.73 SIGMAR1 (0.57) SIGMAR1MCHR1ADORA3
SCHEMBL15869644 0.73 SIGMAR1 (0.57) SIGMAR1MCHR1ADORA3
SCHEMBL7409377 0.72 SIGMAR1 (0.83) SIGMAR1MCHR1HTR6
SCHEMBL11347383 0.67 CHRM2 (0.43) HTR6PIK3CGADORA3HTR1ASLC6A2

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-8778959-B2 AZA-bridged ring-fused indoles and indolines ABBVIE INC. (US) 2014-07-15 US claimed
US-8778959-B2 AZA-bridged ring-fused indoles and indolines ABBVIE INC. (US) 2014-07-15 US disclosed