SCHEMBL6944352

SCHEMBL6944352

CNC(=O)[C@@H]1C[C@@H](OC)CN1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.46
CHRNB2 P17787 4/20 0.39
CHRNA4 P43681 4/20 0.39
CHRNA7 P36544 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
DPP4 P27487 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
GBA1 P04062 1/20 0.30

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
SCHEMBL6938705 1.00 CTSC (0.46) CTSCCHRNB2CHRNA4CHRNA7L3MBTL1
SCHEMBL6938708 1.00 CTSC (0.46) CTSCCHRNB2CHRNA4CHRNA7L3MBTL1
SCHEMBL7021231 0.81 CTSC (0.42) CTSCCHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL3834619 0.81 CTSC (0.42) CTSCCHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL11449583 0.81 CTSC (0.42) CTSCCHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL10151348 0.81 CTSC (0.42) CTSCCHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL5605655 0.81 CTSC (0.42) CTSCCHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL6199839 0.81 CTSC (0.42) CTSCCHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL13403384 0.81 CTSC (0.42) CTSCCHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL24011986 0.81 CTSC (0.52) CTSCCHRNB2CHRNA4CHRNA7L3MBTL1

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 5 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
EP-1155013-A1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 2001-11-21 EP disclosed
WO-2000050418-A9 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER IND & SANTE (FR) 2001-02-22 WO disclosed
WO-2000050418-A1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 2000-08-31 WO disclosed