SCHEMBL9516614

SCHEMBL9516614

CC(C)C(C)NC(=O)C=C[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.40
TRPM5 Q9NZQ8 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
GUSB P08236 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GRIN2B Q13224 1/20 0.36
KIF11 P52732 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL9580537 0.93 NPSR1 (0.38) NPSR1TRPM5HTR2AHTR2CHTR2B
SCHEMBL9580481 0.80 HTR2A (0.45) NPSR1TRPM5HTR2AHTR2CHTR2B
SCHEMBL9516957 0.77 TRPV1 (0.39) TRPM5HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL9516964 0.77 TRPV1 (0.39) TRPM5HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL9516969 0.77 TRPV1 (0.39) TRPM5HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL9580461 0.77 TRPV1 (0.39) TRPM5HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL9515671 0.77 NPSR1 (0.39) NPSR1GUSBALDH1A1LMNAMAPT
SCHEMBL9515681 0.77 NPSR1 (0.39) NPSR1GUSBALDH1A1LMNAMAPT
SCHEMBL9580485 0.77 NPSR1 (0.39) NPSR1GUSBALDH1A1LMNAMAPT
SCHEMBL9580477 0.77 NPSR1 (0.39) NPSR1GUSBALDH1A1LMNAMAPT

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