SCHEMBL6945204

SCHEMBL6945204

CNC(=O)C1CC(OC(C)(C)C)CN1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
DPP4 P27487 1/20 0.34
CTSC P53634 1/20 0.33

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
SCHEMBL6945207 1.00 L3MBTL1 (0.42) L3MBTL1CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL13334224 0.82 L3MBTL1 (0.33) L3MBTL1
SCHEMBL8290429 0.82 L3MBTL1 (0.33) L3MBTL1
SCHEMBL18610076 0.81 CHRNB2 (0.37) L3MBTL1CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL2980585 0.81 CHRNB2 (0.37) L3MBTL1CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL2980588 0.81 CHRNB2 (0.37) L3MBTL1CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL23610412 0.81 CYP2D6 (0.47)
SCHEMBL2036602 0.81 CYP2D6 (0.47)
SCHEMBL3824571 0.81 CYP2D6 (0.47)
SCHEMBL7347617 0.81 CYP2D6 (0.47)

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-1155013-B1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER IND & SANTE (FR) 2003-07-23 EP disclosed
US-6479515-B1 FOR THE TREATMENT OF PAIN AND INFLAMMATION, AND ESPECIALLY IN THE TREATMENT OF ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS FOURNIER INDUSTRIE ET SANTE (FR) 2002-11-12 US disclosed