SCHEMBL8304636

SCHEMBL8304636

c1ccc(CC2COC(N3CCN(CCc4cccs4)CC3)CO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
POLB P06746 1/20 0.38
DRD3 P35462 3/20 0.38
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38
CCR3 P51677 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
ADAM17 P78536 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
SCHEMBL8303871 0.83 OPRM1 (0.42) OPRM1OPRD1OPRK1DRD2CCR3
SCHEMBL8303188 0.83 HTR2B (0.33) DRD3DRD4DRD2CCR3HTR1A
SCHEMBL8303444 0.82 SIGMAR1 (0.55) POLBDRD2CCR3
SCHEMBL9143193 0.80 DRD2 (0.39) DRD3DRD4DRD2CCR3HTR1A
SCHEMBL8303201 0.80 SIGMAR1 (0.43) OPRM1OPRD1OPRK1POLBDRD2
SCHEMBL8307036 0.79 HRH3 (0.51) DRD4CCR3HRH3HTR1ASLC6A2
SCHEMBL8303556 0.79 SIGMAR1 (0.43) OPRM1OPRD1OPRK1DRD2CCR3
SCHEMBL8304291 0.78 SIGMAR1 (0.46) DRD4HTR1ASLC6A4ADRA1A
SCHEMBL9178363 0.76 SIGMAR1 (0.41) DRD3DRD4DRD2CCR3HTR1A
SCHEMBL8306497 0.76 SIGMAR1 (0.42) OPRM1OPRD1OPRK1CCR3CHRM2

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-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