SCHEMBL8638929

SCHEMBL8638929

c1ccc2c(c1)CC(CN1CCNCC1)CC2c1ccc2c(c1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
DRD2 P14416 1/20 0.50
ADRA2C P18825 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
DRD3 P35462 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
SLC6A2 P23975 12/20 0.42
SLC6A4 P31645 12/20 0.42
SLC6A3 Q01959 12/20 0.42
CYP2D6 P10635 5/20 0.40
CYP2C19 P33261 5/20 0.40
KCNH2 Q12809 4/20 0.40
CYP3A4 P08684 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL8637762 0.76 DRD2 (0.36) HTR1AADRA2ADRD2ADRA2CADRA1D
SCHEMBL7814547 0.73 SIGMAR1 (0.65) HTR1AADRA2ADRD2ADRA2CADRA1D
SCHEMBL8636240 0.70 SIGMAR1 (0.49) HTR1AADRA2ADRD2ADRA2CADRA1D
SCHEMBL29639702 0.67 DRD2 (1.00) HTR1AADRA2ADRD2ADRA2CADRA1D
SCHEMBL7810984 0.67 DRD2 (1.00) HTR1AADRA2ADRD2ADRA2CADRA1D
SCHEMBL7805194 0.67 SIGMAR1 (0.70) HTR1AADRA2ADRD2ADRA2CADRA1D
SCHEMBL8638972 0.65 PDCD1 (0.46) HTR1AADRA2ADRD2ADRA2CADRA1D
SCHEMBL7805256 0.65 DRD2 (0.72) HTR1AADRA2ADRD2ADRA2CADRA1D
SCHEMBL7807312 0.63 HTR1A (0.84) HTR1AADRA2ADRD2ADRA2CADRA1D
SCHEMBL4822071 0.62 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3

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