SCHEMBL8637762

SCHEMBL8637762

COc1cc2c(cc1C1CC(CN3CCNCC3)Cc3ccccc31)OCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.36
SIGMAR1 Q99720 3/20 0.36
HTR1A P08908 3/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD3 P35462 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2A P28223 4/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR2C P28335 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL8638929 0.76 HTR1A (0.50) DRD2SIGMAR1HTR1AADRA1DADRA1A
SCHEMBL7805133 0.74 DRD2 (0.55) DRD2SIGMAR1HTR1AADRA1DADRA1A
SCHEMBL8638400 0.70 PDCD1 (0.32) DRD2SIGMAR1HTR1ADRD3HTR2A
SCHEMBL8638972 0.68 PDCD1 (0.46) DRD2SIGMAR1HTR1AADRA1DADRA1A
SCHEMBL7805201 0.68 HTR2C (0.43) DRD2SIGMAR1HTR1AADRA1DADRA1A
SCHEMBL7805273 0.67 HTR3A (0.49) DRD2SIGMAR1HTR1AADRA1BDRD3
SCHEMBL7811838 0.66 HTR2C (0.48) HTR2CKCNH2
SCHEMBL7826532 0.65 ADRA1D (0.33) DRD2SIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL8637881 0.64 KCNH2 (0.34) KCNH2
SCHEMBL7822917 0.64 HTR2C (0.41) HTR1AADRA1AADRA2AADRA2CHTR2C

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