SCHEMBL10167537

SCHEMBL10167537

COC(=O)[C@@]1(CN)CC[C@@H](c2ccc(OCc3ccccc3)cc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.46
GHSR Q92847 1/20 0.43
PRMT5 O14744 4/20 0.41
KCNH2 Q12809 1/20 0.41
LTA4H P09960 2/20 0.41
ADAM17 P78536 2/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP13 P45452 1/20 0.39
USP2 O75604 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 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
SCHEMBL10167532 0.93 YAP1 (0.44) YAP1GHSRPRMT5KCNH2LTA4H
SCHEMBL13172547 0.89 YAP1 (0.44) YAP1GHSRPRMT5KCNH2LTA4H
SCHEMBL1104530 0.89 YAP1 (0.44) YAP1GHSRPRMT5KCNH2LTA4H
SCHEMBL1104560 0.89 YAP1 (0.44) YAP1GHSRPRMT5KCNH2LTA4H
SCHEMBL14019388 0.89 YAP1 (0.44) YAP1GHSRPRMT5KCNH2LTA4H
SCHEMBL1104543 0.87 YAP1 (0.43) YAP1GHSRPRMT5LTA4HADAM17
SCHEMBL1104528 0.87 YAP1 (0.48) YAP1GHSRPRMT5KCNH2ADAM17
SCHEMBL4770854 0.85 PRMT5 (0.45) YAP1GHSRPRMT5KCNH2TP53
SCHEMBL483258 0.85 PRMT5 (0.45) YAP1GHSRPRMT5KCNH2TP53
SCHEMBL311656 0.85 YAP1 (0.46) YAP1GHSRPRMT5KCNH2ADAM17

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-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
WO-2007042240-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed