SCHEMBL8638972

SCHEMBL8638972

COc1cc2c(cc1-c1cccc3c1CC(CN1CCNCC1)C3)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
HTR1A P08908 6/20 0.43
DRD2 P14416 4/20 0.43
SIGMAR1 Q99720 3/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2A P28223 5/20 0.40
HTR2C P28335 3/20 0.40
HTR7 P34969 4/20 0.36
DRD1 P21728 1/20 0.35
HTR2B P41595 1/20 0.34

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
SCHEMBL8636240 0.74 SIGMAR1 (0.49) PDCD1CD274HTR1ADRD2SIGMAR1
SCHEMBL7812220 0.73 DRD2 (0.64) HTR1ADRD2SIGMAR1ADRA2AADRA2C
SCHEMBL8639458 0.71 HRH3 (0.39) PDCD1CD274HTR1ADRD2SIGMAR1
SCHEMBL8637762 0.68 DRD2 (0.36) PDCD1CD274HTR1ADRD2SIGMAR1
SCHEMBL8638929 0.65 HTR1A (0.50) HTR1ADRD2SIGMAR1ADRA2AADRA2C
SCHEMBL7812383 0.64 HTR3A (0.54) HTR1ADRD2SIGMAR1DRD3HTR2A
SCHEMBL7805133 0.64 DRD2 (0.55) HTR1ADRD2SIGMAR1ADRA2AADRA2C
SCHEMBL7820560 0.61 ADRA1D (0.48) HTR1ADRD2SIGMAR1ADRA2AADRA2C
SCHEMBL7820563 0.61 ADRA1D (0.48) HTR1ADRD2SIGMAR1ADRA2AADRA2C
SCHEMBL7805194 0.60 SIGMAR1 (0.70) HTR1ADRD2SIGMAR1ADRA2AADRA2C

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