SCHEMBL7144879

SCHEMBL7144879

COc1ccc(N2CCN(CCNc3ccc4ccccc4n3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.70
SLC6A2 P23975 1/20 0.62
SLC6A4 P31645 1/20 0.62
DRD2 P14416 3/20 0.60
ADRA1A P35348 2/20 0.60
DRD3 P35462 2/20 0.60
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
GFER P55789 1/20 0.53
GAA P10253 1/20 0.53
HTR7 P34969 1/20 0.52
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
Hydrochloric Acid SCHEMBL7146324 0.99 HTR1A (0.69) HTR1ASLC6A2SLC6A4DRD2ADRA1A
SCHEMBL8011275 0.82 HTR1A (1.00) HTR1ADRD2ADRA1ADRD3
SCHEMBL977564 0.81 DRD2 (0.58) HTR1ADRD2ADRA1ADRD3MAPT
SCHEMBL11784383 0.81 SLC6A2 (0.59) HTR1ASLC6A2SLC6A4DRD2ADRA1A
Bromide SCHEMBL7207014 0.79 DRD2 (0.67) HTR1ASLC6A4DRD2ADRA1ADRD3
SCHEMBL7212266 0.78 HTR1A (0.64) HTR1ASLC6A2SLC6A4DRD2ADRA1A
Bromide SCHEMBL7212285 0.77 HTR1A (0.62) HTR1ASLC6A2SLC6A4DRD2ADRA1A
SCHEMBL7888415 0.76 GAA (0.54) HTR1ASLC6A2SLC6A4LMNAMAPT
SCHEMBL21198329 0.75 HTR1A (0.50) HTR1ASLC6A4DRD2ADRA1ADRD3
SCHEMBL8332835 0.74 DRD2 (0.56) HTR1ADRD2ADRA1ADRD3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054863-B1 2-AMINOQUINOLINE DERIVATIVES HAVING D4-AGONISTIC ACTIVITY DUPHAR INT RES (NL) 2003-05-07 EP claimed
US-6281216-B1 2-aminoquinoline derivatives having d4-agonistic activity DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 2001-08-28 US claimed
EP-1054863-A2 2-AMINOQUINOLINE DERIVATIVES HAVING D4-AGONISTIC ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 2000-11-29 EP claimed
WO-1999040068-A2 2-AMINOQUINOLINE DERIVATIVES HAVING D4-AGONISTIC ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1999-08-12 WO claimed
EP-1054863-B1 2-AMINOQUINOLINE DERIVATIVES HAVING D4-AGONISTIC ACTIVITY DUPHAR INT RES (NL) 2003-05-07 EP disclosed
US-6281216-B1 2-aminoquinoline derivatives having d4-agonistic activity DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 2001-08-28 US disclosed
EP-1054863-A2 2-AMINOQUINOLINE DERIVATIVES HAVING D4-AGONISTIC ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 2000-11-29 EP disclosed
WO-1999040068-A2 2-AMINOQUINOLINE DERIVATIVES HAVING D4-AGONISTIC ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1999-08-12 WO disclosed