SCHEMBL8326965

SCHEMBL8326965

CCCCOC(=O)NC(C#N)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSC P53634 6/20 0.56
CTSK P43235 10/20 0.54
CTSL P07711 9/20 0.54
CTSS P25774 5/20 0.54
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CTSH P09668 1/20 0.49
CYP2D6 P10635 1/20 0.49
CTSB P07858 1/20 0.47

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
SCHEMBL27407256 0.88 CTSK (0.52) CTSKCTSLCTSSCYP1A2CYP3A4
SCHEMBL6318841 0.82 CTSL (0.65) CTSCCTSKCTSLCTSSCTSB
SCHEMBL392814 0.82 CTSL (0.65) CTSCCTSKCTSLCTSSCTSB
SCHEMBL6312394 0.82 CTSL (0.65) CTSCCTSKCTSLCTSSCTSB
SCHEMBL6021250 0.81 CTSL (0.56) CTSKCTSLCTSSCTSB
SCHEMBL6021245 0.81 CTSL (0.57) CTSKCTSLCTSSCTSB
SCHEMBL6021077 0.81 CTSS (0.74) CTSKCTSLCTSSCTSB
SCHEMBL5564837 0.80 CTSC (0.66) CTSCCTSKCTSLCTSSCYP1A2
SCHEMBL5564840 0.80 CTSC (0.66) CTSCCTSKCTSLCTSSCYP1A2
SCHEMBL844471 0.80 ITGB3 (0.58) CTSKCTSLCTSS

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-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed