SCHEMBL11166802

SCHEMBL11166802

NC1(c2ccccc2)CNCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.47
HTR2C P28335 3/20 0.44
DRD2 P14416 3/20 0.40
MAOB P27338 2/20 0.40
PNMT P11086 1/20 0.40
CD44 P16070 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
KDM1A O60341 3/20 0.38
OPRM1 P35372 1/20 0.35
DRD1 P21728 2/20 0.35
PRCP P42785 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL22461549 0.83 HTR2A (0.35) HTR2AHTR2CDRD2MAOBPNMT
SCHEMBL7619310 0.77 KDM1A (0.47) MAOBPNMTKDM1AHDAC9
SCHEMBL5047677 0.77 KDM1A (0.47) MAOBPNMTKDM1AHDAC9
SCHEMBL10345420 0.77 HTR2A (0.47) HTR2AHTR2CDRD2MAOBPNMT
SCHEMBL11696762 0.75 KDM1A (0.54) HTR2AHTR2CDRD2KDM1A
SCHEMBL28831342 0.74 KDM1A (0.41) HTR2AHTR2CMAOBPNMTCD44
SCHEMBL10796154 0.73 HTR2A (0.44) HTR2AHTR2CDRD2MAOBPNMT
SCHEMBL9058489 0.72 HTR2A (0.62) HTR2AHTR2CDRD2MAOBPNMT
Phosphoric Acid SCHEMBL10603775 0.71 HTR2A (0.42) HTR2AHTR2CDRD2MAOBPNMT
SCHEMBL11503433 0.71 HTR2A (0.42) HTR2AHTR2CDRD2MAOBPNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4382029-A Process useful for preparing 7,8-acetamido, hydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines SMITHKLINE BECKMAN CORPORATION (US) 1983-05-03 US disclosed
EP-0033632-B1 7,8-AMINO, HYDROXY-1-PHENYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1983-03-30 EP disclosed
US-4327023-A Intermediates for preparing 7,8-amino, hydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines SMITHKLINE CORPORATION (US) 1982-04-27 US disclosed
US-4284556-A 7,8-Amino, hydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines SMITHKLINE CORPORATION (US) 1981-08-18 US disclosed
EP-0033632-A2 7,8-Amino, hydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines, process for their preparation and pharmaceutical compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1981-08-12 EP disclosed