SCHEMBL9381237

SCHEMBL9381237

Cc1ccc([C@@H]2C[C@H]2CN(O)C(N)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.62
HTR2C P28335 4/20 0.53
HTR2B P41595 3/20 0.53
HTR2A P28223 2/20 0.53
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
FFAR1 O14842 1/20 0.39
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36

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
SCHEMBL9381234 1.00 ALOX5 (0.62) ALOX5HTR2CHTR2BHTR2AALDH1A1
SCHEMBL9387228 0.86 HTR2A (0.50) ALOX5HTR2CHTR2BHTR2AALDH1A1
SCHEMBL9387227 0.86 HTR2A (0.50) ALOX5HTR2CHTR2BHTR2AALDH1A1
SCHEMBL9384141 0.85 ALOX5 (0.59) ALOX5HTR2CHTR2BHTR2AALDH1A1
SCHEMBL9380158 0.85 HTR2C (0.50) ALOX5HTR2CHTR2BHTR2AALDH1A1
SCHEMBL9384139 0.85 ALOX5 (0.59) ALOX5HTR2CHTR2BHTR2AALDH1A1
SCHEMBL7969809 0.85 ALOX5 (0.62) ALOX5HTR2CHTR2BHTR2ASLC6A2
SCHEMBL7971059 0.85 ALOX5 (0.62) ALOX5HTR2CHTR2BHTR2A
SCHEMBL7971054 0.85 ALOX5 (0.62) ALOX5HTR2CHTR2BHTR2A
SCHEMBL7969804 0.85 ALOX5 (0.62) ALOX5HTR2CHTR2BHTR2ASLC6A2

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