SCHEMBL7972799

SCHEMBL7972799

OCC1C2Cc3ccccc3C12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 11/20 0.52
KDM1B Q8NB78 3/20 0.43
PRCP P42785 1/20 0.39
OPRM1 P35372 2/20 0.37
CYP11B2 P19099 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 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
SCHEMBL7969445 0.80 KDM1A (0.47) KDM1AKDM1BPRCPCYP11B2
SCHEMBL483392 0.77 KDM1A (0.65) KDM1AKDM1BCYP11B2GRIN2DGRIN3B
SCHEMBL9196424 0.73 KDM1A (0.44) KDM1AKDM1B
SCHEMBL31554964 0.71 HTR2A (0.46) KDM1AOPRM1GRIN2DGRIN3BGRIN1
SCHEMBL7333206 0.71 HTR2A (0.46) KDM1AOPRM1GRIN2DGRIN3BGRIN1
SCHEMBL28611238 0.69 KDM1A (0.96) KDM1AKDM1BCYP11B2
SCHEMBL24278848 0.68 KDM1A (0.50) KDM1AKDM1BCYP11B2GRIN2DGRIN3B
SCHEMBL1478222 0.68 KDM1A (0.50) KDM1AKDM1BCYP11B2
SCHEMBL12749373 0.68 KDM1A (0.50) KDM1AKDM1BCYP11B2
SCHEMBL24278721 0.68 KDM1A (0.50) KDM1AKDM1BCYP11B2GRIN2DGRIN3B

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 4 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
EP-0559743-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE. PFIZER HOSPITAL PROD (US) 1993-09-15 EP disclosed
WO-1992009566-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER INC. (US) 1992-06-11 WO disclosed