SCHEMBL6049323

SCHEMBL6049323

CCSc1ccc(Oc2ccccc2C2CCCN2C(=O)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ RIPK1 Q13546 3/20 0.39
▸ GCK P35557 4/20 0.39
▸ HCRTR1 O43613 4/20 0.38
▸ HCRTR2 O43614 4/20 0.38
▸ PPIB P23284 1/20 0.37
▸ PPID Q08752 1/20 0.37
▸ PPIG Q13427 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ FFAR1 O14842 4/20 0.37
▸ PPARG P37231 1/20 0.36
▸ ROCK2 O75116 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
SCHEMBL7168397 0.89 HSP90AA1 (0.41) HSP90AA1HSP90AB1RIPK1GCKHCRTR1
SCHEMBL6049177 0.83 HSP90AA1 (0.41) HSP90AA1HSP90AB1RIPK1GCKHCRTR1
SCHEMBL23064471 0.71 PPID (0.48) HSP90AA1HSP90AB1RIPK1PPIBPPID
SCHEMBL28537451 0.71 PPID (0.48) HSP90AA1HSP90AB1RIPK1PPIBPPID
SCHEMBL28535098 0.69 RIPK1 (0.46) HSP90AA1HSP90AB1RIPK1HSD11B1
SCHEMBL28535096 0.69 RIPK1 (0.46) HSP90AA1HSP90AB1RIPK1HSD11B1
SCHEMBL2645563 0.69 GCK (0.44) RIPK1GCKHSD11B1
SCHEMBL31525016 0.68 RIPK1 (0.45) HSP90AA1HSP90AB1RIPK1
SCHEMBL1576663 0.68 RIPK1 (0.73) HSP90AA1HSP90AB1RIPK1HSD11B1
SCHEMBL11511479 0.67 FFAR1 (0.45) HSP90AA1HSP90AB1FFAR1PPARG

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
EP-1184372-B1 Phenoxyphenylheterocycle derivatives as selective serotonin reuptake inhibitors (SSRIs) PFIZER LTD (GB) 2006-04-26 — — EP disclosed
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