SCHEMBL9517802

SCHEMBL9517802

CC(C)C(C)/C(=C\C=C\C1(F)CC1c1ccc(Cl)c(Cl)c1)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
SLC6A3 Q01959 8/20 0.31
SLC6A4 P31645 8/20 0.31
SLC6A2 P23975 3/20 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
SCHEMBL9515635 0.86 NPSR1 (0.36) NPSR1SLC6A3SLC6A4SLC6A2
SCHEMBL9517750 0.85 KDM1A (0.31)
SCHEMBL27399659 0.78 NPSR1 (0.40) NPSR1SLC6A3SLC6A4SLC6A2
SCHEMBL9519053 0.76 NOS2 (0.34) NPSR1SLC6A3SLC6A4SLC6A2
SCHEMBL9516899 0.75 NPSR1 (0.37) NPSR1
SCHEMBL9400348 0.73 NPSR1 (0.38) NPSR1SLC6A3SLC6A4SLC6A2
SCHEMBL8967736 0.73 NPSR1 (0.38) NPSR1SLC6A3SLC6A4SLC6A2
SCHEMBL9517700 0.73 KDM1A (0.34)
SCHEMBL9580491 0.72
SCHEMBL9191956 0.70 NPC1 (0.37) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP claimed
EP-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed