SCHEMBL9380468

SCHEMBL9380468

NC(=O)N(O)CCC1CC1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.54
HTR2C P28335 10/20 0.49
HTR2B P41595 6/20 0.49
HTR2A P28223 4/20 0.49
MAOB P27338 2/20 0.49
KDM1A O60341 2/20 0.43
SLC9A1 P19634 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL9380470 1.00 ALOX5 (0.54) ALOX5HTR2CHTR2BHTR2AMAOB
SCHEMBL9380397 0.88 ALOX5 (0.62) ALOX5KDM1A
SCHEMBL9380158 0.85 HTR2C (0.50) ALOX5HTR2CHTR2BHTR2AALDH1A1
SCHEMBL9380910 0.85 HTR2C (0.51) ALOX5HTR2CHTR2BHTR2AMAOB
SCHEMBL9381590 0.85 ALOX5 (0.79) ALOX5HTR2CHTR2BHTR2A
SCHEMBL7959746 0.84 ALOX5 (0.71) ALOX5HTR2CHTR2BHTR2AMAOB
SCHEMBL7959749 0.84 ALOX5 (0.71) ALOX5HTR2CHTR2BHTR2AMAOB
SCHEMBL7971315 0.84 ALOX5 (0.71) ALOX5HTR2CHTR2BHTR2AMAOB
SCHEMBL9379813 0.84 KCNH2 (0.47) ALOX5MAOBKDM1A
SCHEMBL9384463 0.82 HTR2C (0.54) ALOX5HTR2CHTR2BHTR2AMAOB

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