SCHEMBL4422558

SCHEMBL4422558

O=C(NCC(O)C(O)c1cccc(Br)c1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 6/20 0.46
▸ SLC6A4 P31645 6/20 0.46
▸ SLC6A3 Q01959 5/20 0.46
▸ CYP3A4 P08684 4/20 0.46
▸ CYP2D6 P10635 4/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ MTOR P42345 1/20 0.36
▸ GLS O94925 1/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL612911 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL8905101 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL8806181 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL613420 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL236389 0.87 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL2754731 0.86 BCAT2 (0.42) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL2754703 0.78 CNR1 (0.41) MTNR1AMTNR1BL3MBTL1ALDH1A1
SCHEMBL236921 0.78 CNR1 (0.41) MTNR1AMTNR1BL3MBTL1ALDH1A1
SCHEMBL3133088 0.77 CNR1 (0.40) MTNR1AMTNR1BL3MBTL1ALDH1A1
SCHEMBL2151059 0.76 MTNR1A (0.38) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6

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
EP-2076124-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 — — EP disclosed
WO-2008131368-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2008-10-30 — — WO disclosed
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