SCHEMBL9515725

SCHEMBL9515725

CC(C)C(C)NC(=O)/C=C/C=C/C1(Cl)CC1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.36
NOS3 P29474 3/20 0.36
NOS1 P29475 3/20 0.36
SLC6A3 Q01959 9/20 0.31
SLC6A4 P31645 8/20 0.31
SLC6A2 P23975 3/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL27412837 1.00 NOS2 (0.36) NOS2NOS3NOS1SLC6A3SLC6A4
SCHEMBL9519053 0.86 NOS2 (0.34) NOS2NOS3NOS1SLC6A3SLC6A4
SCHEMBL9580434 0.77 NOS2 (0.34) NOS2NOS3NOS1SLC6A3SLC6A4
SCHEMBL9580450 0.77 NOS2 (0.34) NOS2NOS3NOS1SLC6A3SLC6A4
SCHEMBL9516906 0.77 NOS2 (0.34) NOS2NOS3NOS1SLC6A3SLC6A4
SCHEMBL9516910 0.77 NOS2 (0.34) NOS2NOS3NOS1SLC6A3SLC6A4
SCHEMBL9515635 0.75 NPSR1 (0.36) SLC6A3SLC6A4SLC6A2NPSR1
SCHEMBL9580474 0.75 HDAC3 (0.36) NOS2NOS3NOS1
SCHEMBL9517705 0.75 HDAC3 (0.36) NOS2NOS3NOS1
SCHEMBL9517708 0.75 HDAC3 (0.36) NOS2NOS3NOS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP claimed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US claimed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP claimed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed