SCHEMBL8920617

SCHEMBL8920617

CC(C)(C)OC(=O)NC(Cc1nnnn1CCC#N)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.48
CTSK P43235 10/20 0.48
GHSR Q92847 4/20 0.47
NAALAD2 Q9Y3Q0 3/20 0.45
CTSB P07858 3/20 0.44
CTSL P07711 2/20 0.43
TRPV1 Q8NER1 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
SCHEMBL8921747 0.84 GHSR (0.58) CTSSCTSKGHSRNAALAD2CTSB
SCHEMBL8920614 0.84 GHSR (0.58) CTSSCTSKGHSRNAALAD2CTSB
SCHEMBL7976213 0.83 GHSR (0.40) CTSSCTSKGHSRNAALAD2CTSB
SCHEMBL27938378 0.80 NAALAD2 (0.48) CTSSCTSKGHSRNAALAD2CTSB
SCHEMBL7515055 0.76 CTSS (0.56) CTSSCTSKGHSRCTSBCTSL
SCHEMBL21494648 0.76 NAALAD2 (0.73) CTSSCTSKGHSRNAALAD2CTSB
SCHEMBL21494649 0.76 NAALAD2 (0.73) CTSSCTSKGHSRNAALAD2CTSB
SCHEMBL3696061 0.76 GHSR (0.49) CTSSCTSKGHSRNAALAD2CTSB
SCHEMBL3696059 0.76 GHSR (0.49) CTSSCTSKGHSRNAALAD2CTSB
SCHEMBL28905981 0.75 NAALAD2 (0.64) CTSSCTSKGHSRNAALAD2CTSB

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
EP-0660840-B1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
WO-1996026729-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES AS ECE INHIBITORS CIBA-GEIGY AG (CH) 1996-09-06 WO disclosed
US-5550119-A ENDOTHELIN-CONVERTING ENZYM INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
US-5273990-A 5-Phosphonomethyleneamino aryl-substitued alkylene-1H-tetazoles CIBA-GEIGY CORPORATION (US) 1993-12-28 US disclosed