SCHEMBL6825754

SCHEMBL6825754

FC(F)(F)c1cccc(N2CCN(CCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 1.00
GNRHR P30968 1/20 0.63
DRD1 P21728 1/20 0.61
HTR1A P08908 2/20 0.56
HTR2A P28223 2/20 0.56

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
SCHEMBL6825803 0.85 DRD2 (1.00) DRD2GNRHRDRD1
SCHEMBL6820733 0.81 DRD2 (1.00) DRD2HTR1AHTR2A
SCHEMBL23097603 0.77 DRD2 (0.68) DRD2HTR1AHTR2A
SCHEMBL28809903 0.76 DRD2 (0.62) DRD2HTR2A
SCHEMBL29785745 0.76 DRD2 (0.62) DRD2HTR2A
SCHEMBL11262793 0.73 RECQL (0.66) DRD2HTR2A
SCHEMBL1253143 0.73 SIGMAR1 (0.69) DRD2HTR1A
SCHEMBL2095954 0.73 SIGMAR1 (0.69) DRD2HTR1AHTR2A
SCHEMBL21669396 0.73 SIGMAR1 (0.69) DRD2HTR1AHTR2A
SCHEMBL11285131 0.73 DRD2 (0.69) DRD2HTR2A

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
WO-2004035534-A2 NOVEL COMPOUNDS HAVING A DOPAMINERGIC AND/OR SEROTONINERGIC ACTIVITY PROTEOSYS AG (DE) 2004-04-29 WO disclosed