SCHEMBL11679223

SCHEMBL11679223

FC(F)(F)c1ccc2c(c1)N(CC1CNCCO1)c1ccccc1C1CC21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ HTR1A P08908 2/20 0.43
▸ SLC6A2 P23975 13/20 0.40
▸ SLC6A3 Q01959 8/20 0.40
▸ SLC6A4 P31645 10/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ ADRB2 P07550 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ HTR2B P41595 1/20 0.35

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
SCHEMBL11677994 0.87 SLC6A2 (0.49) HTR1ASLC6A2SLC6A3SLC6A4ADRB2
SCHEMBL11678744 0.84 SLC6A2 (0.42) HTR1ASLC6A2SLC6A3SLC6A4ADRB2
SCHEMBL11679397 0.82 GRIN1 (0.44) GRIN1GRIN2BHTR1ASLC6A2SLC6A3
SCHEMBL11679216 0.82 SLC6A2 (0.48) HTR1ASLC6A2SLC6A3SLC6A4ADRB2
SCHEMBL11679775 0.81 GRIN1 (0.43) GRIN1GRIN2BHTR1ASLC6A2SLC6A3
SCHEMBL7832589 0.72 SLC6A2 (0.51) HTR1ASLC6A2SLC6A3SLC6A4ADRB2
SCHEMBL11679858 0.70 SLC6A2 (0.51) HTR1ASLC6A2SLC6A3SLC6A4ADRB2
SCHEMBL1552540 0.68 HTR1A (0.58) GRIN1GRIN2BHTR1ASLC6A2SLC6A4
SCHEMBL1551841 0.68 HTR1A (0.58) GRIN1GRIN2BHTR1ASLC6A2SLC6A4
SCHEMBL1551857 0.68 HTR1A (0.58) GRIN1GRIN2BHTR1ASLC6A2SLC6A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4017621-A 2-Morpholinyl tricyclic dibenzazepine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-04-12 — — US disclosed
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