SCHEMBL8303201

SCHEMBL8303201

c1ccc(CC2COC(N3CCN(CCCc4ccsc4)CC3)CO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.43
POLB P06746 1/20 0.39
CCR3 P51677 2/20 0.39
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
DRD2 P14416 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL8303556 0.97 SIGMAR1 (0.43) SIGMAR1CCR3OPRM1OPRD1OPRK1
SCHEMBL8303871 0.94 OPRM1 (0.42) SIGMAR1CCR3OPRM1OPRD1OPRK1
SCHEMBL8303444 0.89 SIGMAR1 (0.55) SIGMAR1POLBCCR3DRD2HTR2B
SCHEMBL8306497 0.87 SIGMAR1 (0.42) SIGMAR1CCR3OPRM1OPRD1OPRK1
SCHEMBL8304636 0.80 OPRM1 (0.41) POLBCCR3OPRM1OPRD1OPRK1
SCHEMBL9175467 0.77 SIGMAR1 (0.40) SIGMAR1CCR3
SCHEMBL9143193 0.76 DRD2 (0.39) CCR3DRD2
SCHEMBL8412493 0.75 SIGMAR1 (0.40) SIGMAR1POLB
SCHEMBL9176466 0.75 SLC6A2 (0.37) SIGMAR1CCR3
SCHEMBL8121244 0.75 HTR7 (0.58) OPRM1OPRK1DRD2

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 8 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
JP-6179670-A None JP disclosed
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
JP-H06179670-A NOVEL 1,4-DISUBSTITUTED PIPERADINES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION ADIR 1994-06-28 JP 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