SCHEMBL7975898

SCHEMBL7975898

C[C@]1(c2ccccc2)C[C@H]1CN(O)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.42
SLC6A2 P23975 7/20 0.41
SLC6A3 Q01959 5/20 0.41
SLC6A4 P31645 5/20 0.41
CYP2D6 P10635 1/20 0.41
HTR2C P28335 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 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
SCHEMBL7959659 1.00 ALOX5 (0.42) ALOX5SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL7959661 1.00 ALOX5 (0.42) ALOX5SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL7959163 0.82 ALOX5 (0.43) ALOX5SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL12512575 0.78 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4CYP2D6HTR2C
SCHEMBL18231892 0.76 SLC6A3 (0.40) SLC6A2SLC6A3SLC6A4CYP2D6HTR2C
SCHEMBL12512449 0.75 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4CYP2D6HTR2C
SCHEMBL13795283 0.75 SLC6A3 (0.51) SLC6A2SLC6A3SLC6A4CYP2D6HTR2C
SCHEMBL13795239 0.74 SLC6A3 (0.50) SLC6A2SLC6A3SLC6A4CYP2D6HTR2C
SCHEMBL12511662 0.74 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4CYP2D6HTR2C
SCHEMBL13795674 0.74 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4CYP2D6HTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291520-B1 INHIBIT THE ENZYME LIPOXYGENASE; TREATMENT OR ALLEVIATION OF INFLAMMATORY DISEASES, ALLERGIC CONDITIONS AND CARDIOVASCULAR DISEASES PFIZER 2001-09-18 US disclosed
EP-0559743-B1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER (US) 1995-03-08 EP disclosed