SCHEMBL29951189

SCHEMBL29951189

CCCCN(Cc1ccc(F)cc1B(O)O)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.58
SLC6A2 P23975 16/20 0.58
NOS2 P35228 1/20 0.43
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 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
SCHEMBL29957787 0.84 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3
SCHEMBL29956670 0.82 DPP4 (0.42) SLC6A4SLC6A2NOS2SLC6A3
SCHEMBL29958472 0.81 SLC6A2 (0.48) SLC6A4SLC6A2NOS2SLC6A3KMT2A
SCHEMBL29954811 0.80 SLC6A2 (0.45) SLC6A4SLC6A2NOS2SLC6A3KMT2A
SCHEMBL29951606 0.74 CRHR1 (0.42) SLC6A4SLC6A2
SCHEMBL5993247 0.73 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL29952171 0.72 ALDH1A1 (0.46) SLC6A4SLC6A2NOS2SLC6A3KMT2A
SCHEMBL29953292 0.70 LIPG (0.40) KMT2A
SCHEMBL2555615 0.70 TSHR (0.42) SLC6A4SLC6A2KMT2A
SCHEMBL4493694 0.69 SLC6A4 (0.87) SLC6A4SLC6A2SLC6A3

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed