SCHEMBL8304291

SCHEMBL8304291

c1ccc(CC2COC(N3CCN(CCc4cccc5ccccc45)CC3)CO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1D P25100 5/20 0.41
ADRA1A P35348 5/20 0.41
ADRA1B P35368 5/20 0.41
TDP1 Q9NUW8 1/20 0.39
MC4R P32245 1/20 0.38
DRD4 P21917 1/20 0.38
BLM P54132 1/20 0.37
MAPT P10636 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
SCHEMBL9143193 0.82 DRD2 (0.39) HTR1ASLC6A4DRD4
SCHEMBL8307036 0.82 HRH3 (0.51) SIGMAR1HTR1ASLC6A4MC4RDRD4
SCHEMBL8303444 0.81 SIGMAR1 (0.55) SIGMAR1
SCHEMBL8304636 0.78 OPRM1 (0.41) HTR1ASLC6A4ADRA1ADRD4
SCHEMBL8303871 0.77 OPRM1 (0.42) SIGMAR1HTR1AMAPT
SCHEMBL8303188 0.75 HTR2B (0.33) SIGMAR1HTR1ADRD4MAPT
SCHEMBL9178363 0.75 SIGMAR1 (0.41) SIGMAR1HTR1ASLC6A4DRD4
SCHEMBL8303201 0.74 SIGMAR1 (0.43) SIGMAR1
SCHEMBL9175467 0.73 SIGMAR1 (0.40) SIGMAR1HTR1ASLC6A4
SCHEMBL8303556 0.73 SIGMAR1 (0.43) SIGMAR1

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