SCHEMBL6936752

SCHEMBL6936752

CNC(=O)[C@@H]1C[C@@H](OC(C)(C)C)CN1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
PTPN1 P18031 1/20 0.46
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MCL1 Q07820 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
HTR2C P28335 1/20 0.40
AGTR2 P50052 1/20 0.40

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
SCHEMBL6936748 1.00 POLB (0.50) POLBPTPN1PDK1PDK2PDK3
SCHEMBL6944593 0.89 POLB (0.46) POLBPDK1PDK2PDK3PDK4
SCHEMBL2177134 0.89 POLB (0.46) POLBPDK1PDK2PDK3PDK4
SCHEMBL2175331 0.89 POLB (0.46) POLBPDK1PDK2PDK3PDK4
SCHEMBL7347136 0.89 POLB (0.46) POLBPDK1PDK2PDK3PDK4
SCHEMBL23364628 0.88 POLB (0.46) POLBPDK1PDK2PDK3PDK4
SCHEMBL17124819 0.88 POLB (0.46) POLBPDK1PDK2PDK3PDK4
SCHEMBL12234850 0.88 POLB (0.48) POLBPDK1PDK2PDK3PDK4
SCHEMBL13387830 0.88 POLB (0.45) POLBPDK1PDK2PDK3PDK4
SCHEMBL6936913 0.88 POLB (0.53) POLBPTPN1NPSR1LMNASMN1; SMN2

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