SCHEMBL483409

SCHEMBL483409

CC(C)(C)OC(=O)N1[C@@H](c2cccc(OCc3ccccc3)c2)CC[C@@]1(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
MAOB P27338 1/20 0.45
GHSR Q92847 4/20 0.42
LMNA P02545 1/20 0.42
YAP1 P46937 2/20 0.42
MDM4 O15151 1/20 0.41
MDM2 Q00987 1/20 0.41
POLB P06746 1/20 0.41
PRMT5 O14744 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
GRIN1 Q05586 3/20 0.39
F10 P00742 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
SCHEMBL483557 0.89 YAP1 (0.45) KCNH2MAOBGHSRYAP1PRMT5
SCHEMBL484203 0.89 YAP1 (0.45) KCNH2MAOBGHSRYAP1PRMT5
SCHEMBL483518 0.89 YAP1 (0.45) KCNH2MAOBGHSRYAP1PRMT5
SCHEMBL483558 0.89 YAP1 (0.45) KCNH2MAOBGHSRYAP1PRMT5
Ethane SCHEMBL483694 0.89 YAP1 (0.45) KCNH2MAOBGHSRYAP1PRMT5
SCHEMBL10167536 0.84 YAP1 (0.42) KCNH2GHSRLMNAYAP1MDM4
SCHEMBL5152764 0.84 GPR119 (0.44)
SCHEMBL1104540 0.82 YAP1 (0.41) KCNH2MAOBGHSRLMNAYAP1
SCHEMBL484710 0.82 YAP1 (0.46) KCNH2MAOBGHSRYAP1PRMT5
SCHEMBL311656 0.82 YAP1 (0.46) KCNH2MAOBGHSRYAP1PRMT5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
EP-1943216-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
WO-2007042250-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed