SCHEMBL6049181

SCHEMBL6049181

CS(=O)(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C2CCCN2C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.52
▸ SLC6A2 P23975 2/20 0.52
▸ SLC6A3 Q01959 2/20 0.52
▸ FPR2 P25090 1/20 0.41
▸ KIF11 P52732 2/20 0.40
▸ BRAF P15056 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ NPY2R P49146 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ MMP14 P50281 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
SCHEMBL6049200 0.91 KIF11 (0.45) SLC6A4SLC6A2SLC6A3FPR2KIF11
SCHEMBL7170392 0.81 EPHX2 (0.42) HRH3MAPTEPHX2MMP3MMP9
SCHEMBL6049259 0.78 RAB9A (0.44) MAPT
SCHEMBL6049260 0.78 RAB9A (0.44) MAPT
SCHEMBL6049210 0.73 SCD5 (0.38) SLC6A4SLC6A2SLC6A3HRH3EPHX2
SCHEMBL6049231 0.73 EPHX2 (0.41) MAPTEPHX2
SCHEMBL6049177 0.70 HSP90AA1 (0.41) MAPTHSD11B1MMP2MMP3MMP9
SCHEMBL3111013 0.70 KIF11 (0.73) SLC6A4SLC6A2SLC6A3KIF11MMP2
SCHEMBL17142310 0.69 RIPK1 (0.51) HRH3DPP4
SCHEMBL6049191 0.69 GCK (0.43) HRH3MAPTEPHX2

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-1184372-B1 Phenoxyphenylheterocycle derivatives as selective serotonin reuptake inhibitors (SSRIs) PFIZER LTD (GB) 2006-04-26 — — EP disclosed
EP-1184372-A1 Phenoxyphenylheterocycle derivatives as selective serotonin reuptake inhibitors (SSRIs) Pfizer Limited (GB) 2002-03-06 — — EP disclosed
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