SCHEMBL6765287

SCHEMBL6765287

Cc1cc(CCCC(N)=O)nc(-n2c(C)ccc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
NOS1 P29475 9/20 0.37
NOS3 P29474 8/20 0.37
HTT P42858 1/20 0.34
TLR8 Q9NR97 1/20 0.33
MTNR1A P48039 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
SCHEMBL6767585 0.89 RXRA (0.50) NOS2RXRARXRBRXRGNOS1
SCHEMBL6164330 0.85 RXRA (0.46) NOS2RXRARXRBRXRGNOS1
SCHEMBL6762997 0.82 MIF (0.39)
SCHEMBL6166695 0.81 NOS2 (0.45) NOS2NOS1NOS3
SCHEMBL6164525 0.81 NOS2 (0.39) NOS2NOS1NOS3TLR8
SCHEMBL13040655 0.80 NOS2 (0.38) NOS2NOS1NOS3TLR8
SCHEMBL6167004 0.80 NOS2 (0.38) NOS2NOS1NOS3TLR8
SCHEMBL13040656 0.80 NOS2 (0.55) NOS2NOS1NOS3
SCHEMBL5672155 0.79 NOS2 (0.36) NOS2NOS1NOS3
SCHEMBL8329772 0.79 NOS2 (0.39) NOS2NOS1NOS3

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
US-6727239-B1 INHIBITORY ACTIVITY ON NO- SYNTHASE ENZYMES PRODUCING NITROGEN MONOXIDE NO AND/OR AN ACTIVITY WHICH TRAPS THE REACTIVE OXYGEN SPECIES (ROS) SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-04-27 US disclosed