SCHEMBL8304288

SCHEMBL8304288

c1cc2c(c(N3CCN(CCc4cccc5ccccc45)CC3)c1)CCOO2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 6/20 0.49
ADRA1A P35348 6/20 0.49
ADRA1B P35368 6/20 0.49
DRD2 P14416 7/20 0.46
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
HTR7 P34969 1/20 0.43
HTR1A P08908 2/20 0.42
DRD1 P21728 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR3A P46098 1/20 0.42

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
SCHEMBL9143190 0.83 DRD2 (0.47) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL8307032 0.82 HRH3 (0.50) ADRA1DADRA1AADRA1BDRD2HTR7
SCHEMBL9179337 0.81 DRD2 (0.43) DRD2HTR1AHTR2A
SCHEMBL8303443 0.79 HTR1A (0.58) DRD2HTR1A
SCHEMBL8304293 0.79 DRD2 (0.70) DRD2HTR1A
SCHEMBL8304635 0.78 DRD4 (0.43) DRD2DRD4DRD3HTR1A
SCHEMBL8303869 0.76 ALDH1A1 (0.40) DRD2HTR1AHTR2A
SCHEMBL9178359 0.76 DRD2 (0.41) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL8303187 0.74 DRD2 (0.37) DRD2HTR1AHTR2A
SCHEMBL9175463 0.74 DRD2 (0.42) DRD2HTR1AHTR2A

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