SCHEMBL9385667

SCHEMBL9385667

NC(=O)N(O)CC1CC1c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.56
CYP2A6 P11509 1/20 0.49
CHRM4 P08173 1/20 0.42
FFAR1 O14842 1/20 0.40
GPR88 Q9GZN0 1/20 0.39
TBXAS1 P24557 5/20 0.39
KDM1A O60341 1/20 0.39
NAMPT P43490 4/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL9385671 1.00 ALOX5 (0.56) ALOX5CYP2A6CHRM4FFAR1GPR88
SCHEMBL9380777 0.84 ALOX5 (0.76) ALOX5FFAR1
SCHEMBL9380781 0.84 ALOX5 (0.76) ALOX5FFAR1
SCHEMBL9384802 0.83 ALOX5 (0.62) ALOX5GPR88NAMPT
SCHEMBL9384797 0.83 ALOX5 (0.62) ALOX5GPR88NAMPT
SCHEMBL7959746 0.83 ALOX5 (0.71) ALOX5KDM1A
SCHEMBL7959749 0.83 ALOX5 (0.71) ALOX5KDM1A
SCHEMBL7971315 0.83 ALOX5 (0.71) ALOX5KDM1A
SCHEMBL9627081 0.78 ALOX5 (0.46) ALOX5CYP2A6KDM1ACYP3A4CYP2C9
SCHEMBL9627075 0.78 ALOX5 (0.46) ALOX5CYP2A6KDM1ACYP3A4CYP2C9

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