SCHEMBL9380418

SCHEMBL9380418

COc1ccc([C@@H]2C[C@H]2CN(O)C(N)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.58
HTR2C P28335 2/20 0.56
KDM1A O60341 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
FFAR1 O14842 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL9380414 1.00 ALOX5 (0.58) ALOX5HTR2CKDM1AMAOAMAOB
SCHEMBL9381471 0.89 ALOX5 (0.58) ALOX5HTR2CMAOARAB9ANPC1
SCHEMBL9381473 0.89 ALOX5 (0.58) ALOX5HTR2CMAOARAB9ANPC1
SCHEMBL9386135 0.89 ALOX5 (0.47) ALOX5HTR2CKDM1AMAOAMAOB
SCHEMBL9386131 0.89 ALOX5 (0.47) ALOX5HTR2CKDM1AMAOAMAOB
SCHEMBL9809209 0.89 ALOX5 (0.47) ALOX5HTR2CKDM1AMAOAMAOB
SCHEMBL9387465 0.86 ALOX5 (0.55) ALOX5HTR2C
SCHEMBL9387460 0.86 ALOX5 (0.55) ALOX5HTR2C
SCHEMBL9384463 0.86 HTR2C (0.54) ALOX5HTR2CKDM1AMAOAMAOB
SCHEMBL9380504 0.86 ALOX5 (0.60) ALOX5HTR2CFFAR1HTR2AHTR2B

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