SCHEMBL257979

SCHEMBL257979

Cc1c(F)cc(Oc2cccc(F)c2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX1 Q96LB2 1/20 0.44
▸ F10 P00742 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ SLC6A2 P23975 6/20 0.42
▸ SLC6A4 P31645 6/20 0.42
▸ SLC6A3 Q01959 6/20 0.42
▸ GCK P35557 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ MGLL Q99685 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ FFAR4 Q5NUL3 3/20 0.38
▸ FFAR1 O14842 1/20 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
SCHEMBL17623911 0.84 SLC6A2 (0.45) MRGPRX1F10ACHESLC6A2SLC6A4
SCHEMBL7938427 0.83 MAPT (0.46) ACHESLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL10269468 0.83 FFAR1 (0.43) MRGPRX1F10ACHESLC6A2SLC6A4
SCHEMBL22185410 0.82 LTA4H (0.52) —
SCHEMBL3179032 0.81 SLC6A2 (0.48) ACHESLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6293197 0.81 ALDH1A1 (0.50) ACHESLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6289878 0.81 ALDH1A1 (0.50) ACHESLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6293224 0.81 ALDH1A1 (0.50) ACHESLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6289927 0.81 ALDH1A1 (0.50) ACHESLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6290410 0.81 ALDH1A1 (0.50) ACHESLC6A2SLC6A4SLC6A3HTR1A

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-2404607-A1 Boronic acids and esters as inhibitors of fatty acid amide hydrolase Infinity Pharmaceuticals, Inc. (US) 2012-01-11 — — EP disclosed
EP-2399585-A1 Boronic acids and esters as inhibitors of fatty acid amide hydrolase Infinity Pharmaceuticals, Inc. (US) 2011-12-28 — — EP disclosed
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