SCHEMBL8303876

SCHEMBL8303876

c1cc2c(c(N3CCN(CCc4ccsc4)CC3)c1)OCCO2

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.61
DRD2 P14416 1/20 0.55

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
SCHEMBL8303204 0.93 HTR1A (0.69) HTR1ADRD2
SCHEMBL8303559 0.92 HTR1A (0.74) HTR1ADRD2
SCHEMBL8306501 0.88 HTR1A (0.63) HTR1ADRD2
SCHEMBL8304638 0.81 HTR1A (0.61) HTR1ADRD2
SCHEMBL8303869 0.79 ALDH1A1 (0.40) HTR1ADRD2
SCHEMBL8307038 0.78 HTR1A (0.64) HTR1ADRD2
SCHEMBL8688384 0.77 HTR1A (0.65) HTR1A
SCHEMBL31051744 0.77 HTR1A (0.65) HTR1A
SCHEMBL8691042 0.77 HTR1A (0.65) HTR1A
SCHEMBL31051878 0.77 HTR1A (0.65) 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 6 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 claimed
US-5464834-A Antidepressants, central nervous system ADIR ET COMPAGNIE (FR) 1995-11-07 US claimed
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 claimed
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