SCHEMBL7917842

SCHEMBL7917842

FCCCCOc1ccc(CCCN2CC[C@@H](F)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.60
KCNH2 Q12809 2/20 0.47
GRIN2B Q13224 1/20 0.47
LTA4H P09960 1/20 0.46

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
SCHEMBL19043506 1.00 HRH3 (0.60) HRH3KCNH2GRIN2BLTA4H
SCHEMBL7922904 0.88 LTA4H (0.58) HRH3GRIN2BLTA4H
SCHEMBL19043795 0.86 SPHK1 (0.47) HRH3
SCHEMBL7927897 0.82 HRH3 (0.76) HRH3LTA4H
SCHEMBL23963302 0.82 LTA4H (0.57) HRH3KCNH2LTA4H
SCHEMBL28386934 0.82 LTA4H (0.57) HRH3KCNH2LTA4H
SCHEMBL23963274 0.82 LTA4H (0.57) HRH3KCNH2LTA4H
SCHEMBL19042296 0.81 HRH3 (0.74) HRH3LTA4H
SCHEMBL19043574 0.81 HRH3 (0.79) HRH3
SCHEMBL20382412 0.78 HRH3 (0.49) HRH3

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-2010039256-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2010-04-08 WO disclosed