SCHEMBL9425328

SCHEMBL9425328

Cc1csc(N2CC(CF)OC2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
GRM2 Q14416 13/20 0.38
CALML3 P27482 1/20 0.34

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
SCHEMBL6607536 0.86 MAOA (0.56) MAOAMAOBGRM2CALML3
SCHEMBL11246885 0.86 MAOA (0.41) MAOAMAOBGRM2
SCHEMBL10881242 0.86 MAOA (0.56) MAOAMAOBGRM2CALML3
SCHEMBL5235135 0.80 GRM2 (0.40) MAOAMAOBGRM2
SCHEMBL5237207 0.77 MAOA (0.53) MAOAMAOB
SCHEMBL5234303 0.77 MAOA (0.38) MAOAMAOBGRM2
SCHEMBL5233156 0.77 CYP3A4 (0.36) MAOAMAOBCALML3
SCHEMBL7164287 0.76 GRM2 (0.42) MAOAMAOBGRM2
SCHEMBL7082498 0.75 GRM2 (0.43) MAOAMAOBGRM2
SCHEMBL6607421 0.75 GRM2 (0.47) MAOAMAOBGRM2

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-5278179-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1994-01-11 US disclosed