SCHEMBL11275359

SCHEMBL11275359

Cc1ccc(C2CCN(CCCn3nc4ccccn4c3=O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.54
HTR2A P28223 11/20 0.54
HTR1A P08908 10/20 0.54
KCNH2 Q12809 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ADRA2A P08913 2/20 0.54
SLC6A4 P31645 2/20 0.54
ADRA1A P35348 2/20 0.54
HRH1 P35367 2/20 0.54
ABCB11 O95342 1/20 0.54
LMNA P02545 1/20 0.54
CYP2D6 P10635 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
DRD1 P21728 1/20 0.54
DRD4 P21917 1/20 0.54
HRH2 P25021 1/20 0.54

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
SCHEMBL11260127 0.91 DRD2 (0.58) DRD2HTR2AHTR1AKCNH2KDM4E
SCHEMBL11263914 0.89 DRD2 (0.61) DRD2HTR2AHTR1AKCNH2KDM4E
SCHEMBL11262256 0.89 DRD2 (0.62) DRD2HTR2AHTR1AKCNH2KDM4E
SCHEMBL11279992 0.89 DRD2 (0.56) DRD2HTR2AHTR1AKCNH2KDM4E
SCHEMBL11271057 0.89 DRD2 (0.52) DRD2HTR2AHTR1AKCNH2KDM4E
SCHEMBL11262489 0.82 DRD2 (0.56) DRD2HTR2AHTR1AKCNH2KDM4E
SCHEMBL11269812 0.82 DRD2 (0.70) DRD2HTR2AHTR1AKCNH2KDM4E
SCHEMBL11267488 0.78 HTR1A (0.51) DRD2HTR2AHTR1AKCNH2KDM4E
SCHEMBL269389 0.77 DRD2 (0.62) DRD2HTR2AHTR1AKCNH2KDM4E
SCHEMBL30767220 0.75 HTR1A (0.80) DRD2HTR2AHTR1AKCNH2KDM4E

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
EP-0062873-A1 1-Substituted-4-phenyl-polyhydro-pyridines and -pyrrolidines, processes for their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1982-10-20 EP claimed
EP-0062873-A1 1-Substituted-4-phenyl-polyhydro-pyridines and -pyrrolidines, processes for their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1982-10-20 EP disclosed