SCHEMBL8306513

SCHEMBL8306513

c1cc2c(c(N3CCN(C[C@@H]4CCc5sccc5C4)CC3)c1)CCOO2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.37
DRD3 P35462 2/20 0.37
HTR1A P08908 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
SLC6A4 P31645 3/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
HTR2C P28335 2/20 0.35

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
SCHEMBL8307272 1.00 DRD2 (0.37) DRD2DRD3HTR1ASIGMAR1ADRA2A
SCHEMBL9179387 0.83 SIGMAR1 (0.53) DRD2DRD3HTR1ASIGMAR1ADRA2A
SCHEMBL8307276 0.82
SCHEMBL9178359 0.75 DRD2 (0.41) DRD2DRD3HTR1ASIGMAR1ADRA2A
SCHEMBL9174170 0.74
SCHEMBL9465608 0.74
SCHEMBL9182178 0.74 HTR2C (0.38) HTR2C
SCHEMBL9465763 0.74 HTR2C (0.38) HTR2C
SCHEMBL9175463 0.73 DRD2 (0.42) DRD2HTR1AHTR2A
SCHEMBL8304635 0.72 DRD4 (0.43) DRD2DRD3HTR1A

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-0574313-B1 1,4-Disubstituted piperazines for the treatment of disorders of the central nervous system and neuro-endocrine disorders ADIR (FR) 1999-10-06 EP disclosed
US-5464834-A Antidepressants, central nervous system ADIR ET COMPAGNIE (FR) 1995-11-07 US disclosed
EP-0574313-A1 1,4-Disubstituted piperazines for the treatment of disorders of the central nervous system and neuro-endocrine disorders ADIR ET COMPAGNIE (FR) 1993-12-15 EP disclosed