SCHEMBL8403757

SCHEMBL8403757

CNc1ccc(CN2CCN(c3ccccc3OC)CC2)cc1O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.63
ALDH1A1 P00352 3/20 0.62
MAPK1 P28482 1/20 0.61
DRD4 P21917 3/20 0.60
DRD2 P14416 3/20 0.59
KDM4E B2RXH2 2/20 0.57
KMT2A Q03164 1/20 0.57
DRD3 P35462 2/20 0.57
POLB P06746 1/20 0.56
GAA P10253 1/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HRH2 P25021 1/20 0.54
HRH1 P35367 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
SCHEMBL9720648 0.84 HTR7 (0.70) HTR7ALDH1A1MAPK1DRD4DRD2
SCHEMBL8406351 0.84 ALDH1A1 (0.68) ALDH1A1MAPK1DRD4DRD2KDM4E
SCHEMBL7691290 0.81 ALDH1A1 (0.71) HTR7ALDH1A1MAPK1DRD4DRD2
SCHEMBL9720681 0.80 MAPK1 (0.78) HTR7ALDH1A1MAPK1DRD4DRD2
SCHEMBL9720708 0.80 DRD4 (0.73) HTR7ALDH1A1MAPK1DRD4DRD2
SCHEMBL9720726 0.79 KDM4E (0.79) HTR7ALDH1A1MAPK1DRD4DRD2
SCHEMBL9720699 0.79 HTR7 (0.65) HTR7ALDH1A1MAPK1DRD4DRD2
SCHEMBL9225440 0.77 MAPK1 (0.81) HTR7ALDH1A1MAPK1DRD4DRD2
SCHEMBL6131943 0.77 KDM4E (0.63) HTR7ALDH1A1MAPK1DRD4DRD2
SCHEMBL6031726 0.76 MAPK1 (0.80) HTR7ALDH1A1MAPK1DRD4DRD2

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 6 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 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
EP-0839133-A1 4,9-ETHANO-BENZO(F)ISOINDOLE DERIVATIVES AS FARNESYL TRANSFERASE INHIBITORS Aventis Pharma S.A. (FR) 1998-05-06 EP disclosed
WO-1997003050-A1 4,9-ETHANO-BENZO(F)ISOINDOLE DERIVATIVES AS FARNESYL TRANSFERASE INHIBITORS RHONE-POULENC RORER S.A. (FR) 1997-01-30 WO disclosed