SCHEMBL9178363

SCHEMBL9178363

c1ccc(CC2COC(N3CCN(CCC4Cc5ccccc5C4)CC3)CO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.41
GRIN2B Q13224 2/20 0.40
HTR1A P08908 5/20 0.39
CCR3 P51677 1/20 0.36
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
HTR7 P34969 2/20 0.35
DRD3 P35462 2/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2C P28335 1/20 0.35
PRMT3 O60678 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT1 Q99873 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL9175467 0.93 SIGMAR1 (0.40) SIGMAR1GRIN2BHTR1ACCR3SLC6A4
SCHEMBL9179397 0.88 SIGMAR1 (0.55) SIGMAR1GRIN2BHTR1ADRD2DRD3
SCHEMBL2688223 0.83 GRIN2B (0.55) SIGMAR1GRIN2BHTR1A
SCHEMBL9183292 0.82 PREP (0.41) SIGMAR1GRIN2B
SCHEMBL1038534 0.82 SIGMAR1 (0.43) SIGMAR1
SCHEMBL8303444 0.81 SIGMAR1 (0.55) SIGMAR1CCR3DRD2HTR2B
SCHEMBL9466307 0.80 SIGMAR1 (0.51) SIGMAR1
SCHEMBL9179381 0.79 ALDH1A1 (0.40) SIGMAR1GRIN2B
SCHEMBL9467343 0.78 SIGMAR1 (0.51) SIGMAR1HTR1A
SCHEMBL8304636 0.76 OPRM1 (0.41) HTR1ACCR3DRD2DRD3SLC6A4

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-0490772-B1 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them ADIR (FR) 1995-07-26 EP disclosed
US-5194437-A Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders ADIR ET COMPAGNIE (FR) 1993-03-16 US disclosed
EP-0490772-A1 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-06-17 EP disclosed