SCHEMBL15869716

SCHEMBL15869716

CN1[C@@H]2CCC[C@H]1c1c([nH]c3c(OCc4ccccc4)cccc13)C2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.50
HTR3A P46098 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
PIK3CG P48736 1/20 0.40
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL15869659 1.00 SIGMAR1 (0.50) SIGMAR1HTR3AADORA3PIK3CGHTR1A
SCHEMBL15869658 1.00 SIGMAR1 (0.50) SIGMAR1HTR3AADORA3PIK3CGHTR1A
SCHEMBL15869581 0.95 SIGMAR1 (0.57) SIGMAR1ADORA3
SCHEMBL15869580 0.95 SIGMAR1 (0.57) SIGMAR1ADORA3
SCHEMBL15869644 0.95 SIGMAR1 (0.57) SIGMAR1ADORA3
SCHEMBL15869717 0.77 SIGMAR1 (0.45) SIGMAR1ADORA3PIK3CGHTR1ASLC6A2
SCHEMBL15869674 0.77 SIGMAR1 (0.45) SIGMAR1ADORA3PIK3CGHTR1ASLC6A2
SCHEMBL15869675 0.77 SIGMAR1 (0.45) SIGMAR1ADORA3PIK3CGHTR1ASLC6A2
SCHEMBL31153240 0.69 ADORA3 (0.48) ADORA3PIK3CG
SCHEMBL25634132 0.69 ADORA3 (0.48) ADORA3PIK3CG

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