SCHEMBL7765509

SCHEMBL7765509

COc1cccc(N2CCN(Cc3ccc4c(c3)oc(=O)n4C)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 2/20 0.56
TSHR P16473 2/20 0.56
HTR1A P08908 6/20 0.54
DRD4 P21917 2/20 0.53
GFER P55789 1/20 0.52
DRD2 P14416 2/20 0.51
KCNH2 Q12809 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
MAPK1 P28482 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
SCHEMBL7765521 0.89 DRD4 (0.67) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7766439 0.81 HTR1A (0.79) KMT2AKDM4EALDH1A1HTR1ADRD4
SCHEMBL7765531 0.81 DRD4 (0.64) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8403761 0.80 HTR1A (0.77) KMT2AKDM4EALDH1A1HTR1ADRD4
SCHEMBL8621651 0.79 HTR1A (0.62) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL7762726 0.78 MEN1 (0.62) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7765547 0.77 USP2 (0.56) MEN1KMT2AALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL8403646 0.77 MEN1 (0.61) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL10393710 0.75 HTR1A (0.67) MEN1KMT2AALDH1A1HTR1ADRD2
SCHEMBL25370948 0.75 KDM4E (0.80) KDM4EALDH1A1SMN1; SMN2MAPTTSHR

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