SCHEMBL8639458

SCHEMBL8639458

C1=COc2ccc(-c3cccc4c3CC(CN3CCNCC3)C4)cc2OC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
SIGMAR1 Q99720 3/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
DRD3 P35462 1/20 0.37
CD274 Q9NZQ7 2/20 0.37
PDCD1 Q15116 1/20 0.37
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVR1 Q04771 1/20 0.31
CHRM3 P20309 2/20 0.30

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
SCHEMBL7805320 0.72 SIGMAR1 (0.71) SIGMAR1HTR1AADRA2ADRD2ADRA2C
SCHEMBL8638972 0.71 PDCD1 (0.46) SIGMAR1HTR1AADRA2ADRD2ADRA2C
SCHEMBL8636240 0.69 SIGMAR1 (0.49) HRH3SIGMAR1HTR1AADRA2ADRD2
SCHEMBL7805322 0.68 DRD2 (0.71) SIGMAR1HTR1AADRA2ADRD2ADRA2C
SCHEMBL7820563 0.64 ADRA1D (0.48) SIGMAR1HTR1AADRA2ADRD2ADRA2C
SCHEMBL7820560 0.64 ADRA1D (0.48) SIGMAR1HTR1AADRA2ADRD2ADRA2C
SCHEMBL7818191 0.64 ADRB1 (0.44) SIGMAR1HTR1ATGFBR1ACVR1
SCHEMBL9175108 0.60 ADRB1 (0.62) SIGMAR1HTR1ADRD2DRD3
SCHEMBL8638929 0.59 HTR1A (0.50) HRH3SIGMAR1HTR1AADRA2ADRD2
SCHEMBL5791140 0.59 HRH3 (0.55) HRH3HTR1ACHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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