SCHEMBL11328615

SCHEMBL11328615

CC(=O)N1CCCc2ccc([N+](=O)[O-])c(I)c2C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KDR P35968 1/20 0.38
NOTUM Q6P988 1/20 0.38
MAPT P10636 6/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 2/20 0.36
GPR174 Q9BXC1 1/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL11342850 0.85 BAZ2B (0.43) BAZ2BHTR2AHTR2CHTR2BKDR
SCHEMBL11331944 0.85 BAZ2B (0.43) BAZ2BHTR2AHTR2CHTR2BKDR
SCHEMBL11335646 0.85 HTR2A (0.56) BAZ2BHTR2AHTR2CHTR2BKDR
SCHEMBL11339601 0.85 BAZ2B (0.43) BAZ2BHTR2AHTR2CHTR2BKDR
SCHEMBL11330129 0.82 BAZ2B (0.41) BAZ2BHTR2AHTR2CHTR2BKDR
SCHEMBL11337401 0.79 NOTUM (0.41) BAZ2BKDRNOTUMMAPT
SCHEMBL11325888 0.78 BAZ2B (0.41) BAZ2BHTR2AHTR2CHTR2BKDR
SCHEMBL11338653 0.78 BAZ2B (0.41) BAZ2BHTR2AHTR2CHTR2BKDR
SCHEMBL11325449 0.78 BAZ2B (0.41) BAZ2BKDRNOTUMMAPTALDH1A1
SCHEMBL11331930 0.78 BAZ2B (0.43) BAZ2BKDRNOTUMMAPTALDH1A1

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