SCHEMBL6978061

SCHEMBL6978061

[N][C@@H]1C[C@H](C(F)(F)F)C(Cc2ccccc2)N1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
GBA1 P04062 1/20 0.35
SLC22A1 O15245 1/20 0.33
PRCP P42785 1/20 0.33

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
SCHEMBL6967468 1.00 NOS1 (0.41) NOS1NOS2GBA1SLC22A1PRCP
SCHEMBL6977151 0.77 NOS1 (0.38) NOS1NOS2GBA1
SCHEMBL6971452 0.77 NOS1 (0.38) NOS1NOS2GBA1
SCHEMBL6980069 0.71 NOS1 (0.44) NOS1NOS2GBA1
SCHEMBL6978059 0.71 NOS1 (0.44) NOS1NOS2GBA1
SCHEMBL6967461 0.71 NOS1 (0.44) NOS1NOS2GBA1
SCHEMBL6965046 0.71 NOS1 (0.44) NOS1NOS2
SCHEMBL6965239 0.63 POLB (0.49) GBA1
SCHEMBL25978994 0.62 NOS1 (0.42) NOS1NOS2GBA1
SCHEMBL23459313 0.61 FUCA1 (0.40) GBA1

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-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed