SCHEMBL8303871

SCHEMBL8303871

c1ccc(CC2COC(N3CCN(CCc4ccsc4)CC3)CO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.42
OPRD1 P41143 6/20 0.42
OPRK1 P41145 6/20 0.42
DRD2 P14416 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
CCR3 P51677 1/20 0.40
SLC6A3 Q01959 1/20 0.36
HTR1A P08908 1/20 0.36
MAPT P10636 1/20 0.36
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
SCHEMBL8303201 0.94 SIGMAR1 (0.43) OPRM1OPRD1OPRK1DRD2SIGMAR1
SCHEMBL8303556 0.93 SIGMAR1 (0.43) OPRM1OPRD1OPRK1DRD2SIGMAR1
SCHEMBL8306497 0.89 SIGMAR1 (0.42) OPRM1OPRD1OPRK1SIGMAR1CCR3
SCHEMBL8304636 0.83 OPRM1 (0.41) OPRM1OPRD1OPRK1DRD2CCR3
SCHEMBL8303444 0.82 SIGMAR1 (0.55) DRD2SIGMAR1CCR3
SCHEMBL8307036 0.80 HRH3 (0.51) SIGMAR1CCR3HTR1A
SCHEMBL9143193 0.79 DRD2 (0.39) DRD2CCR3HTR1A
SCHEMBL8303188 0.78 HTR2B (0.33) DRD2SIGMAR1CCR3HTR1AMAPT
SCHEMBL8304291 0.77 SIGMAR1 (0.46) SIGMAR1HTR1AMAPT
SCHEMBL9178363 0.76 SIGMAR1 (0.41) DRD2SIGMAR1CCR3HTR1AACHE

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