SCHEMBL7814547

SCHEMBL7814547

c1ccc2c(c1)CC(CN1CCC(c3ccc4c(c3)OCCO4)CC1)C2

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.65
HTR1A P08908 3/20 0.65
DRD2 P14416 2/20 0.65
ADRA2A P08913 1/20 0.65
ADRA2C P18825 1/20 0.65
ADRA1D P25100 1/20 0.65
ADRA1A P35348 1/20 0.65
ADRA1B P35368 1/20 0.65
DRD3 P35462 1/20 0.65
HTT P42858 1/20 0.44
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
KCNH2 Q12809 1/20 0.42
SLC6A4 P31645 1/20 0.40
UGCG Q16739 1/20 0.40

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
SCHEMBL7810984 0.79 DRD2 (1.00) SIGMAR1HTR1ADRD2ADRA2AADRA2C
SCHEMBL7805194 0.79 SIGMAR1 (0.70) SIGMAR1HTR1ADRD2ADRA2AADRA2C
SCHEMBL29639702 0.79 DRD2 (1.00) SIGMAR1HTR1ADRD2ADRA2AADRA2C
SCHEMBL6502218 0.78 SIGMAR1 (0.65) SIGMAR1HTR1ADRD2KCNH2
Hydrochloric Acid SCHEMBL6489394 0.77 SIGMAR1 (0.63) SIGMAR1HTR1ADRD2KCNH2
SCHEMBL7807312 0.74 HTR1A (0.84) SIGMAR1HTR1ADRD2ADRA2AADRA2C
SCHEMBL8638929 0.73 HTR1A (0.50) SIGMAR1HTR1ADRD2ADRA2AADRA2C
SCHEMBL29575028 0.72 L3MBTL1 (0.50) HTTGAAKDM4EALDH1A1LMNA
SCHEMBL10665311 0.72 SIGMAR1 (0.71) SIGMAR1HTR1ADRD2KCNH2
SCHEMBL7818183 0.71 DRD2 (0.57) SIGMAR1HTR1ADRD2ADRA2AADRA2C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684020-A ANTIPSYCHOTICS, ANTIDEPRESSANTS, TREATMENT OF DYSFUNCTION OF DOPAMINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1997-11-04 US claimed
EP-0745598-B1 Piperazine, piperidine and 1,2,5,6-tetrahydropyridine derivatives, proces for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-08-22 EP disclosed
US-5753662-A TREATING DOPAMINERGIC SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1998-05-19 US disclosed
US-5684020-A ANTIPSYCHOTICS, ANTIDEPRESSANTS, TREATMENT OF DYSFUNCTION OF DOPAMINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1997-11-04 US disclosed
EP-0745598-A1 Piperazine, piperidine and 1,2,5,6-tetrahydropyridine derivatives, proces for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 EP disclosed