SCHEMBL6944399

SCHEMBL6944399

CNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 5/20 0.50
▸ LMNA P02545 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ BACE1 P56817 8/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.40
▸ CARM1 Q86X55 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ PRMT8 Q9NR22 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ BACE2 Q9Y5Z0 6/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRL1 P41146 1/20 0.39

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
SCHEMBL6944393 1.00 CTSC (0.50) CTSCLMNACYP3A4SMN1; SMN2BACE1
SCHEMBL7285927 0.86 CTSC (0.47) CTSCBACE1BACE2EPHX2OPRM1
SCHEMBL15099494 0.85 CTSC (0.48) CTSCCYP3A4BACE1EPHX2OPRM1
SCHEMBL8690915 0.85 CTSC (0.48) CTSCCYP3A4BACE1EPHX2OPRM1
SCHEMBL8693462 0.85 CTSC (0.48) CTSCCYP3A4BACE1EPHX2OPRM1
SCHEMBL23371636 0.85 CTSC (0.45) CTSCEPHX2OPRM1OPRL1
SCHEMBL12161925 0.85 CTSC (0.45) CTSCEPHX2OPRM1OPRL1
SCHEMBL1006316 0.85 CTSC (0.44) CTSCEPHX2
SCHEMBL5802417 0.85 CTSC (0.44) CTSCEPHX2
SCHEMBL1006306 0.85 CTSC (0.44) CTSCEPHX2

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
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