SCHEMBL9515671

SCHEMBL9515671

CC(C)C(C)NC(=O)C=CC=C[C@@H]1[C@@H](c2cccc(C(F)(F)F)c2)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.39
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
GUSB P08236 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 4/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 3/20 0.34
PKM P14618 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSP90AA1 P07900 1/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TAS1R3 Q7RTX0 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
SCHEMBL9515681 1.00 NPSR1 (0.39) NPSR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9580477 1.00 NPSR1 (0.39) NPSR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9580485 1.00 NPSR1 (0.39) NPSR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9580537 0.82 NPSR1 (0.38) NPSR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9580434 0.78 NOS2 (0.34) NPSR1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL9580450 0.78 NOS2 (0.34) NPSR1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL9516906 0.78 NOS2 (0.34) NPSR1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL9516910 0.78 NOS2 (0.34) NPSR1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL9515667 0.77 CACNA1F (0.37) NPSR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9516614 0.77 NPSR1 (0.40) NPSR1CACNA1FCACNA1DCACNA1SCACNA1C

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

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