SCHEMBL6940371

SCHEMBL6940371

CNC(=O)[C@@H]1C=CCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
PREP P48147 1/20 0.35
HTRA1 Q92743 1/20 0.35
CTSK P43235 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN6 P29350 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
CHRM2 P08172 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
SCHEMBL3546340 0.83 PTPN1 (0.39) PTPN1NPC1LMNANPSR1CYP1A2
SCHEMBL3546343 0.83 PTPN1 (0.39) PTPN1NPC1LMNANPSR1CYP1A2
SCHEMBL2559556 0.83 PTPN1 (0.39) PTPN1NPC1LMNANPSR1CYP1A2
SCHEMBL10137609 0.83 PREP (0.38) NPC1LMNANPSR1CYP1A2POLB
SCHEMBL629586 0.83 ACE (0.47) NPC1LMNANPSR1PREPCTSK
SCHEMBL25175295 0.83 ACE (0.47) NPC1LMNANPSR1PREPCTSK
SCHEMBL629585 0.83 ACE (0.47) NPC1LMNANPSR1PREPCTSK
SCHEMBL31375026 0.83 PREP (0.38) NPC1LMNANPSR1CYP1A2POLB
SCHEMBL3915923 0.81 PREP (0.37) NPC1LMNANPSR1CYP1A2POLB
SCHEMBL1022805 0.81 PIN1 (0.42) NPC1LMNANPSR1CYP1A2POLB

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