SCHEMBL7798759

SCHEMBL7798759

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
CTSC P53634 1/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
RAB9A P51151 1/20 0.35
ABCB1 P08183 1/20 0.35
BACE1 P56817 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL27736155 0.84 CTSC (0.41) OPRM1OPRL1L3MBTL1CTSCABCB1
SCHEMBL7277577 0.84 CTSC (0.41) OPRM1OPRL1L3MBTL1CTSCABCB1
SCHEMBL7863488 0.81 ABCB1 (0.36) L3MBTL1CTSCABCB1BACE1
SCHEMBL7880855 0.81 ABCB1 (0.36) L3MBTL1CTSCABCB1BACE1
SCHEMBL7809312 0.81 SIGMAR1 (0.39) OPRM1OPRL1L3MBTL1CTSCHTR2C
SCHEMBL7806166 0.80 ALDH1A1 (0.39) L3MBTL1CTSCBACE1HTR2C
SCHEMBL7807821 0.79 SIGMAR1 (0.39) OPRM1OPRL1CTSCHTR2C
SCHEMBL7805186 0.79 CTSC (0.48) CTSCABCB1HTR2C
SCHEMBL8098831 0.78 L3MBTL1 (0.38) OPRM1OPRL1L3MBTL1ABCB1BACE1
SCHEMBL8690915 0.78 CTSC (0.48) OPRM1OPRL1CTSCBACE1HTR2C

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-A1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 2001-11-21 EP disclosed
WO-2000050418-A1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 2000-08-31 WO disclosed