SCHEMBL6977151

SCHEMBL6977151

C[C@H]1C[C@@H]([N])NC1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
GBA1 P04062 1/20 0.37

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
SCHEMBL6971452 1.00 NOS1 (0.38) NOS1NOS2GBA1
SCHEMBL8146269 0.79 NOS1 (0.41) NOS1NOS2GBA1
SCHEMBL6967468 0.77 NOS1 (0.41) NOS1NOS2GBA1
SCHEMBL6978061 0.77 NOS1 (0.41) NOS1NOS2GBA1
SCHEMBL23255522 0.71 NOS1 (0.42) NOS1NOS2GBA1
SCHEMBL18883041 0.71 NOS1 (0.42) NOS1NOS2GBA1
SCHEMBL18883048 0.71 NOS1 (0.42) NOS1NOS2GBA1
SCHEMBL18883040 0.71 NOS1 (0.42) NOS1NOS2GBA1
SCHEMBL18883042 0.71 NOS1 (0.42) NOS1NOS2GBA1
SCHEMBL23459314 0.70 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