SCHEMBL8303869

SCHEMBL8303869

c1cc2c(c(N3CCN(CCc4ccsc4)CC3)c1)CCOO2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HTR1A P08908 6/20 0.38
DRD2 P14416 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 3/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL8303199 0.94 HTR1A (0.43) ALDH1A1HTR1ADRD2HTR2A
SCHEMBL8303555 0.93 HTR1A (0.47) ALDH1A1HTR1ADRD2HTR2A
SCHEMBL8306494 0.89 ALDH1A1 (0.52) ALDH1A1HTR1ADRD2
SCHEMBL8302093 0.83 ALDH1A1 (0.39) ALDH1A1HTR1ADRD2
SCHEMBL8304635 0.82 DRD4 (0.43) ALDH1A1HTR1ADRD2
SCHEMBL8307032 0.80 HRH3 (0.50) HTR1ADRD2HTR2ASIGMAR1
SCHEMBL8303876 0.79 HTR1A (0.61) HTR1ADRD2
SCHEMBL8303443 0.79 HTR1A (0.58) HTR1ADRD2MEN1KMT2ASIGMAR1
SCHEMBL9143190 0.77 DRD2 (0.47) HTR1ADRD2HTR2A
SCHEMBL8303187 0.76 DRD2 (0.37) HTR1ADRD2HTR2A

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