SCHEMBL8306501

SCHEMBL8306501

c1cc2c(c(N3CCN(Cc4ccsc4)CC3)c1)OCCO2

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.63
DRD2 P14416 3/20 0.63
ALDH1A1 P00352 1/20 0.55
DRD4 P21917 1/20 0.54
HTR2A P28223 1/20 0.54
HTR7 P34969 1/20 0.54
DRD3 P35462 1/20 0.54
HTR2B P41595 1/20 0.54

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
SCHEMBL8303876 0.88 HTR1A (0.61) HTR1ADRD2
SCHEMBL8303204 0.86 HTR1A (0.69) HTR1ADRD2
SCHEMBL8303559 0.85 HTR1A (0.74) HTR1ADRD2
SCHEMBL13533015 0.83 HTR1A (0.81) HTR1ADRD2
SCHEMBL21198039 0.78 HTR1A (0.69) HTR1ADRD2DRD4HTR2AHTR7
SCHEMBL8306494 0.78 ALDH1A1 (0.52) HTR1ADRD2ALDH1A1DRD4DRD3
SCHEMBL13533020 0.77 HTR1A (1.00) HTR1ADRD2DRD4HTR2AHTR7
SCHEMBL31051747 0.76 ADRB1 (0.61) HTR1A
SCHEMBL31051832 0.76 ADRB1 (0.61) HTR1A
SCHEMBL31052023 0.76 ADRB1 (0.61) HTR1A

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