SCHEMBL19490451

SCHEMBL19490451

CC(C)(C)OC(=O)NC(O)c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.47
CTSK P43235 10/20 0.47
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
TRPA1 O75762 1/20 0.42
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
KDM4D Q6B0I6 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 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
SCHEMBL13149842 0.85 ACACB (0.49) CTSSCTSKCTSLCTSBTRPA1
SCHEMBL8172182 0.85 ACACB (0.49) CTSSCTSKCTSLCTSBTRPA1
SCHEMBL23224313 0.85 ACACB (0.49) CTSSCTSKCTSLCTSBTRPA1
SCHEMBL22506510 0.85 CTSS (0.44) CTSSCTSKCTSLCTSBTRPA1
SCHEMBL22506384 0.85 CTSS (0.44) CTSSCTSKCTSLCTSBTRPA1
SCHEMBL22506385 0.85 CTSS (0.44) CTSSCTSKCTSLCTSBTRPA1
SCHEMBL11852061 0.83 CTSS (0.45) CTSSCTSKCTSLCTSBTRPA1
SCHEMBL3645286 0.83 CTSS (0.57) CTSSCTSKCTSLCTSBTRPA1
SCHEMBL20470212 0.83 CTSS (0.45) CTSSCTSKCTSLCTSBTRPA1
SCHEMBL23200865 0.83 CTSS (0.54) CTSSCTSKCTSLCTSBTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017178350-A1 1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AND 1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]PYRIDIN-4-ONES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2017-10-19 WO disclosed