SCHEMBL8307036

SCHEMBL8307036

c1ccc(CC2COC(N3CCN(CCc4ccc5ccccc5c4)CC3)CO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.51
SLC6A4 P31645 3/20 0.48
SIGMAR1 Q99720 3/20 0.45
KMT2A Q03164 1/20 0.43
HTR1A P08908 1/20 0.42
HTR2B P41595 1/20 0.41
PKM P14618 1/20 0.40
CCR3 P51677 1/20 0.40
DRD4 P21917 1/20 0.39
MC4R P32245 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL8304291 0.82 SIGMAR1 (0.46) SLC6A4SIGMAR1HTR1ADRD4MC4R
SCHEMBL8303444 0.82 SIGMAR1 (0.55) SIGMAR1KMT2AHTR2BCCR3
SCHEMBL8303871 0.80 OPRM1 (0.42) SIGMAR1HTR1ACCR3
SCHEMBL8304636 0.79 OPRM1 (0.41) HRH3SLC6A4HTR1ACCR3DRD4
SCHEMBL8303188 0.78 HTR2B (0.33) SIGMAR1HTR1AHTR2BCCR3DRD4
SCHEMBL9178363 0.76 SIGMAR1 (0.41) SLC6A4SIGMAR1HTR1AHTR2BCCR3
SCHEMBL9143193 0.75 DRD2 (0.39) SLC6A4HTR1ACCR3DRD4
SCHEMBL8303201 0.74 SIGMAR1 (0.43) SIGMAR1HTR2BCCR3
SCHEMBL9175467 0.74 SIGMAR1 (0.40) SLC6A4SIGMAR1HTR1ACCR3SLC6A2
SCHEMBL8303556 0.74 SIGMAR1 (0.43) SIGMAR1KMT2AHTR2BCCR3

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