SCHEMBL8549243

SCHEMBL8549243

CC(C)(C)OC(=O)N1C(=O)C(O)C(C(F)(F)F)C1CC1OCCO1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
KLK7 P49862 1/20 0.31

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
SCHEMBL8552602 0.79 KDM4E (0.35) KDM4EMAPTTHRBUSP2SMN1; SMN2
SCHEMBL5963617 0.72 KLK7 (0.36) MAPTUSP2SMN1; SMN2CHRM2CHRM1
SCHEMBL7979086 0.72 KLK7 (0.36) MAPTUSP2SMN1; SMN2CHRM2CHRM1
SCHEMBL5963373 0.69 EPHX1 (0.37) KDM4EMAPTCHRM2CHRM1CHRM3
SCHEMBL15317901 0.63 NFKB1 (0.39) MAPTTHRBCHRM2CHRM1CHRM3
SCHEMBL31622247 0.62 RECQL (0.54) KDM4EMAPTTHRBUSP2SMN1; SMN2
SCHEMBL959713 0.62 NR1H2 (0.43) KDM4EMAPTTHRBUSP2SMN1; SMN2
SCHEMBL8553981 0.62 ELANE (0.36) CHRM2CHRM1CHRM3KLK7
SCHEMBL9093094 0.62 ELANE (0.36) CHRM2CHRM1CHRM3KLK7
SCHEMBL8593795 0.62 ELANE (0.36) CHRM2CHRM1CHRM3KLK7

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
EP-0824523-A1 NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES G.D. Searle & Co. (US) 1998-02-25 EP disclosed
WO-1996035677-A1 NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES G.D. SEARLE & CO. (US) 1996-11-14 WO disclosed