SCHEMBL15058693

SCHEMBL15058693

CC(C)(C)OC(=O)N1CCCC(Oc2cc(F)ccc2C=O)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.48
CHEK2 O96017 1/20 0.47
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
IDO1 P14902 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
SCN9A Q15858 1/20 0.41
USP30 Q70CQ3 2/20 0.41
BRD3 Q15059 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41

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
SCHEMBL15058691 1.00 PDE4B (0.48) PDE4BCHEK2PIK3CDPIK3CAPIK3CB
SCHEMBL15058234 0.89 RBP4 (0.45) PDE4BIDO1GPR119USP30
SCHEMBL2409128 0.85 PDE4B (0.49) PDE4BCHEK2GPR119SCN9AUSP30
SCHEMBL2409130 0.85 PDE4B (0.49) PDE4BCHEK2GPR119SCN9AUSP30
SCHEMBL2412041 0.85 PDE4B (0.49) PDE4BCHEK2GPR119SCN9AUSP30
SCHEMBL18043820 0.85 RBP4 (0.38) PIK3CD
SCHEMBL18043822 0.85 RBP4 (0.38) PIK3CD
SCHEMBL15057701 0.84 PDE4B (0.51) PDE4BCHEK2PIK3CDPIK3CAPIK3CB
SCHEMBL15057700 0.84 PDE4B (0.51) PDE4BCHEK2PIK3CDPIK3CAPIK3CB
SCHEMBL16476646 0.84 PDE4B (0.48) PDE4BCHEK2PIK3CDPIK3CAPIK3CB

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-2794608-B1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS MERCK PATENT GMBH (DE) 2016-09-14 EP disclosed
US-9403835-B2 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators ARES TRADING S.A. (CH) 2016-08-02 US disclosed
EP-2794608-A1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS Merck Patent GmbH (DE) 2014-10-29 EP disclosed
EP-2674434-A1 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators ARES TRADING S.A. (CH) 2013-12-18 EP disclosed
WO-2013091773-A1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS MERCK PATENT GMBH (DE) 2013-06-27 WO disclosed