SCHEMBL8200883

SCHEMBL8200883

[C-]#[N+]CCc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
MAOB P27338 2/20 0.43
IDO1 P14902 3/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
AOC3 Q16853 2/20 0.42
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
AGXT P21549 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
AOC2 O75106 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL5672968 0.77 IDO1 (0.48) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL7859899 0.76 ESR1 (0.59) TAAR1PTGS1PTGS2L3MBTL1
SCHEMBL2553227 0.76
SCHEMBL12401864 0.76 CHKA (0.41) TAAR1PTGS1L3MBTL1
SCHEMBL2561988 0.76 TAAR1 (0.50) TAAR1MAOBIDO1MAOA
SCHEMBL2560685 0.76 TAAR1 (0.50) TAAR1MAOBIDO1AOC3AGXT
SCHEMBL7437052 0.76 TAAR1 (0.68) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL1461571 0.75 ALDH1A1 (0.48) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL990098 0.72 TAAR1 (0.56) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL3893360 0.71 DAO (0.44)

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-6107274-A ENZYME INHIBITORS AS HYPOGLYCEMIC AGENTS IN TREATMENT OF TYPE-II DIABETES ONTOGEN CORPORATION (US) 2000-08-22 US disclosed