SCHEMBL11340596

SCHEMBL11340596

Nc1c(Cl)ccc2c1CNCCC2

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.70
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
HTR2A P28223 5/20 0.43
HTR2C P28335 5/20 0.43
HTR2B P41595 5/20 0.43
CD44 P16070 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL11740381 0.89 PNMT (0.68) PNMTADRA2AADRA2BADRA2CHTR2A
Hydrochloric Acid SCHEMBL11743376 0.88 PNMT (0.69) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL476330 0.82 PNMT (1.00) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL30249887 0.82 PNMT (1.00) PNMTADRA2AADRA2BADRA2CHTR2A
Hydrochloric Acid SCHEMBL158709 0.81 PNMT (0.96) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL11334166 0.79 PNMT (0.70) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL11327857 0.79 PNMT (0.70) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL11338462 0.79 PNMT (0.51) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL11325134 0.79 PNMT (0.51) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL11322190 0.79 PNMT (0.70) PNMTADRA2AADRA2BADRA2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002624-B1 2-BENZAZEPINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1981-10-14 EP disclosed
EP-0002624-A1 2-Benzazepine compounds, processes for their preparation and pharmaceutical compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-06-27 EP disclosed