SCHEMBL6978059

SCHEMBL6978059

N=C1C[C@H](C(F)(F)F)[C@H](Cc2ccccc2)N1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
MAOB P27338 1/20 0.36
GBA1 P04062 1/20 0.35
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6980069 1.00 NOS1 (0.44) NOS1NOS2MAOBGBA1POLB
SCHEMBL6967461 1.00 NOS1 (0.44) NOS1NOS2MAOBGBA1POLB
SCHEMBL6965046 0.81 NOS1 (0.44) NOS1NOS2
SCHEMBL6971448 0.77 NOS1 (0.41) NOS1NOS2GBA1
SCHEMBL6977148 0.77 NOS1 (0.41) NOS1NOS2GBA1
SCHEMBL6964864 0.77 NOS1 (0.41) NOS1NOS2GBA1
Hydrochloric Acid SCHEMBL8051182 0.75 NOS1 (0.43) NOS1NOS2GBA1
SCHEMBL6978061 0.71 NOS1 (0.41) NOS1NOS2GBA1
SCHEMBL6967468 0.71 NOS1 (0.41) NOS1NOS2GBA1
SCHEMBL27404520 0.66 CREBBP (0.39) NOS1NOS2

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