SCHEMBL9241900

SCHEMBL9241900

Fc1cc(F)cc(OCC2CCCN2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.60
CHRNA3 P32297 4/20 0.56
CHRNB4 P30926 2/20 0.56

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
SCHEMBL9241903 1.00 LTA4H (0.60) LTA4HCHRNA3CHRNB4
Hydrochloric Acid SCHEMBL9242432 0.98 LTA4H (0.58) LTA4HCHRNA3CHRNB4
Hydrochloric Acid SCHEMBL9242435 0.98 LTA4H (0.58) LTA4HCHRNA3CHRNB4
SCHEMBL9241944 0.84 CHRNB4 (0.70) LTA4HCHRNA3CHRNB4
SCHEMBL4664872 0.84 CHRNB4 (0.70) LTA4HCHRNA3CHRNB4
SCHEMBL9241941 0.84 CHRNB4 (0.70) LTA4HCHRNA3CHRNB4
SCHEMBL8290117 0.83 LTA4H (0.83) LTA4HCHRNA3
SCHEMBL7409154 0.83 CHRNB4 (0.71) CHRNA3CHRNB4
Hydrochloric Acid SCHEMBL9244609 0.83 CHRNB4 (0.68) LTA4HCHRNA3CHRNB4
Hydrochloric Acid SCHEMBL9238658 0.83 CHRNB4 (0.68) LTA4HCHRNA3CHRNB4

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
US-5472958-A 2-((nitro)phenoxymethyl) heterocyclic compounds that enhance cognitive function ABBOTT LABORATORIES (US) 1995-12-05 US claimed
US-5472958-A 2-((nitro)phenoxymethyl) heterocyclic compounds that enhance cognitive function ABBOTT LABORATORIES (US) 1995-12-05 US disclosed