SCHEMBL7765531

SCHEMBL7765531

Cn1c(=O)oc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.64
HTR1A P08908 2/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
DRD2 P14416 4/20 0.52
CHRM5 P08912 1/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
HTR2A P28223 1/20 0.52
ADRA1B P35368 1/20 0.52
DRD3 P35462 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
USP2 O75604 1/20 0.50

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
SCHEMBL7765521 0.87 DRD4 (0.67) DRD4HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL7765547 0.85 USP2 (0.56) DRD4HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL7765509 0.81 MEN1 (0.64) DRD4HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL7762726 0.79 MEN1 (0.62) DRD4HTR1AKDM4EALDH1A1DRD2
SCHEMBL10982732 0.79 HTR1A (0.66) DRD4HTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8403646 0.78 MEN1 (0.61) DRD4HTR1AKDM4EALDH1A1DRD2
SCHEMBL7762759 0.77 HTR1A (0.65) DRD4HTR1AMAPTKDM4EALDH1A1
SCHEMBL10392906 0.77 HTR1A (0.62) DRD4HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL10393710 0.76 HTR1A (0.67) HTR1ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL7766439 0.76 HTR1A (0.79) DRD4HTR1AKDM4EALDH1A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1072655-C New heterocyclic aminomethyl compounds, process for preparing them and pharmaceutical compositions containing them ADIR (FR) 2001-10-10 CN claimed
EP-0841330-B1 Aminomethyl heterocyclic derivatives, process of their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-06-27 EP claimed
CN-1182083-A New heterocyclic aminomethyl compounds, process for preparing them and pharmaceutical compositions containing them ADIR (FR) 1998-05-20 CN claimed
EP-0841330-A1 Aminomethyl heterocyclic derivatives, process of their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-05-13 EP claimed
CN-1072655-C New heterocyclic aminomethyl compounds, process for preparing them and pharmaceutical compositions containing them ADIR (FR) 2001-10-10 CN disclosed
EP-0841330-B1 Aminomethyl heterocyclic derivatives, process of their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-06-27 EP disclosed
US-5919784-A ANXIETY, DEPRESSION ADIR ET COMPAGNIE (FR) 1999-07-06 US disclosed
CN-1182083-A New heterocyclic aminomethyl compounds, process for preparing them and pharmaceutical compositions containing them ADIR (FR) 1998-05-20 CN disclosed
EP-0841330-A1 Aminomethyl heterocyclic derivatives, process of their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-05-13 EP disclosed