SCHEMBL9380910

SCHEMBL9380910

NC(=O)N(O)CCC1CC1c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.51
HTR2B P41595 7/20 0.51
ALOX5 P09917 5/20 0.46
KDM1A O60341 7/20 0.41
MAOB P27338 3/20 0.41
KCNH2 Q12809 2/20 0.41
RCOR1 Q9UKL0 2/20 0.41
KDM1B Q8NB78 1/20 0.41
MAOA P21397 1/20 0.38
HTR2A P28223 5/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 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
SCHEMBL9380158 0.86 HTR2C (0.50) HTR2CHTR2BALOX5HTR2ASLC6A2
SCHEMBL9384889 0.86 HTR2C (0.47) HTR2CHTR2BALOX5KDM1AMAOB
SCHEMBL9380468 0.85 ALOX5 (0.54) HTR2CHTR2BALOX5KDM1AMAOB
SCHEMBL9380470 0.85 ALOX5 (0.54) HTR2CHTR2BALOX5KDM1AMAOB
SCHEMBL7969809 0.85 ALOX5 (0.62) HTR2CHTR2BALOX5KDM1AMAOB
SCHEMBL7969812 0.85 ALOX5 (0.62) HTR2CHTR2BALOX5KDM1AMAOB
SCHEMBL9384910 0.84 ALOX5 (0.60) HTR2CHTR2BALOX5KDM1AMAOB
SCHEMBL9384912 0.84 ALOX5 (0.60) HTR2CHTR2BALOX5KDM1AMAOB
SCHEMBL9384463 0.82 HTR2C (0.54) HTR2CHTR2BALOX5KDM1AMAOB
SCHEMBL9380397 0.80 ALOX5 (0.62) ALOX5KDM1AKCNH2

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
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP claimed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 EP claimed
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP disclosed
US-5120752-A N-(1-(20(3-pyridyloxy)phenyl)cyclopropyl) alkyl-N-hydroxyurea compounds, antiinflammatory agents ABBOTT LABORATORIES (US) 1992-06-09 US disclosed
US-5037853-A Antiinflammatory agents ABBOTT LABORATORIES (US) 1991-08-06 US disclosed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 EP disclosed