SCHEMBL7953624

SCHEMBL7953624

NC(=S)CC[C@H]1CN(c2cccc(F)c2N2CCSCC2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.44
MAOA P21397 4/20 0.42
MAOB P27338 3/20 0.42
F10 P00742 2/20 0.40
CALML3 P27482 1/20 0.32

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
SCHEMBL3519370 0.85 GRM2 (0.46) GRM2MAOAMAOBF10CALML3
SCHEMBL7953621 0.82 MAOB (0.43) GRM2MAOAMAOBF10CALML3
SCHEMBL7953614 0.82 MAOB (0.43) GRM2MAOAMAOBF10CALML3
SCHEMBL7953617 0.82 MAOB (0.58) GRM2MAOAMAOBF10CALML3
SCHEMBL3117926 0.80 MAOA (0.47) GRM2MAOAMAOBF10CALML3
SCHEMBL7530454 0.79 MAOB (0.51) GRM2MAOAMAOBF10CALML3
SCHEMBL7527213 0.79 MAOB (0.51) GRM2MAOAMAOBF10CALML3
SCHEMBL7527221 0.79 MAOB (0.51) GRM2MAOAMAOBF10CALML3
SCHEMBL7530462 0.79 MAOB (0.51) GRM2MAOAMAOBF10CALML3
SCHEMBL3519365 0.75 GRM2 (0.42) GRM2MAOAMAOBF10CALML3

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-6255304-B1 AIDS THERAPY PHARMACIA & UPJOHN COMPANY 2001-07-03 US disclosed