SCHEMBL21603313

SCHEMBL21603313

FC(F)(F)c1ccc(O[C@@H]2CCN(I)C2)cn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 1/20 0.48
▸ PIK3CD O00329 2/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ LPL P06858 1/20 0.41
▸ LIPG Q9Y5X9 1/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ SCN9A Q15858 3/20 0.39
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ AXL P30530 1/20 0.38
▸ TYRO3 Q06418 1/20 0.38
▸ MERTK Q12866 1/20 0.38
▸ ACACB O00763 4/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.36

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
SCHEMBL21603196 0.79 CHRM4 (0.49) CHRNB2CHRNA4
SCHEMBL26665387 0.78 LIPE (0.49) LIPESCN9ACHRNB2CHRNA4AXL
SCHEMBL29202321 0.77 LIPE (0.55) LIPEPIK3CDPIK3CALPLLIPG
SCHEMBL23207692 0.74 LIPE (0.47) LIPESCN9ACHRNB2CHRNA4AXL
SCHEMBL21607026 0.74 HRH1 (0.47) LIPEPIK3CASCN9ACHRNB2CHRNA4
SCHEMBL23207693 0.74 LIPE (0.47) LIPESCN9ACHRNB2CHRNA4AXL
SCHEMBL29277434 0.74 LIPE (0.47) LIPEPIK3CDPIK3CASCN9ACHRNB2
SCHEMBL26709805 0.74 CHRNB2 (0.46) LIPESCN9ACHRNB2CHRNA4AXL
Hydrochloric Acid SCHEMBL23168140 0.73 LIPE (0.46) LIPESCN9ACHRNB2CHRNA4AXL
Hydrochloric Acid SCHEMBL23168136 0.73 LIPE (0.46) LIPESCN9ACHRNB2CHRNA4AXL

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
WO-2019243527-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 — — WO disclosed
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