SCHEMBL7765547

SCHEMBL7765547

Cn1c(=O)oc2cc(CN3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HTR1A P08908 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
MAPK1 P28482 3/20 0.53
TSHR P16473 3/20 0.53
TP53 P04637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
DRD4 P21917 3/20 0.48
DRD2 P14416 1/20 0.48
PKM P14618 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL7765531 0.85 DRD4 (0.64) USP2MEN1KMT2AALDH1A1HTR1A
SCHEMBL7765521 0.83 DRD4 (0.67) USP2MEN1KMT2AALDH1A1HTR1A
SCHEMBL7765493 0.79 HTR1A (0.60) HTR1AMAPT
SCHEMBL7765509 0.77 MEN1 (0.64) MEN1KMT2AALDH1A1HTR1ASLC6A2
SCHEMBL10982732 0.75 HTR1A (0.66) ALDH1A1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL7762726 0.75 MEN1 (0.62) USP2MEN1KMT2AALDH1A1HTR1A
SCHEMBL3372996 0.75 PKM (0.63) MEN1KMT2AALDH1A1TSHRTP53
Hydrochloric Acid SCHEMBL8403646 0.74 MEN1 (0.61) USP2MEN1KMT2AALDH1A1HTR1A
SCHEMBL10392906 0.74 HTR1A (0.62) ALDH1A1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL8407634 0.73 HTR1A (0.52) HTR1ASLC6A4DRD4DRD2

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