SCHEMBL11679397

SCHEMBL11679397

FC(F)(F)c1ccc2c(c1)N(CC1CNCCO1)c1ccccc1CC2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ SLC6A2 P23975 13/20 0.42
▸ SLC6A3 Q01959 8/20 0.42
▸ HTR2A P28223 3/20 0.39
▸ HTR2C P28335 3/20 0.39
▸ HTR2B P41595 3/20 0.39
▸ SLC6A4 P31645 9/20 0.38

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
SCHEMBL7832589 0.87 SLC6A2 (0.51) HTR1ASLC6A2SLC6A3HTR2AHTR2C
SCHEMBL11681069 0.84 SLC6A2 (0.46) HTR1ASLC6A2SLC6A3HTR2AHTR2C
SCHEMBL11679775 0.84 GRIN1 (0.43) GRIN1GRIN2BHTR1ASLC6A2SLC6A3
SCHEMBL11679389 0.83 SLC6A2 (0.42) HTR1ASLC6A2SLC6A3HTR2AHTR2C
SCHEMBL11679223 0.82 GRIN1 (0.44) GRIN1GRIN2BHTR1ASLC6A2SLC6A3
SCHEMBL11678040 0.82 SLC6A2 (0.48) HTR1ASLC6A2SLC6A3HTR2AHTR2C
Fumaric Acid SCHEMBL9615197 0.72 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4
Maleic Acid SCHEMBL9615196 0.72 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4
SCHEMBL11679858 0.72 SLC6A2 (0.51) HTR1ASLC6A2SLC6A3HTR2AHTR2B
SCHEMBL11677994 0.70 SLC6A2 (0.49) HTR1ASLC6A2SLC6A3HTR2AHTR2B

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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