SCHEMBL8921747

SCHEMBL8921747

CC(C)(C)OC(=O)NC(Cc1ccc(-c2ccccc2)cc1)c1nnnn1CCC#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.58
CTSS P25774 8/20 0.55
CTSK P43235 7/20 0.55
CTSB P07858 3/20 0.48
CTSL P07711 1/20 0.48
NAALAD2 Q9Y3Q0 1/20 0.47
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
AGTR1 P30556 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL8920614 1.00 GHSR (0.58) GHSRCTSSCTSKCTSBCTSL
SCHEMBL7515055 0.91 CTSS (0.56) GHSRCTSSCTSKCTSBCTSL
SCHEMBL3696059 0.91 GHSR (0.49) GHSRCTSSCTSKCTSBCTSL
SCHEMBL3696061 0.91 GHSR (0.49) GHSRCTSSCTSKCTSBCTSL
SCHEMBL3708374 0.85 CTSS (0.52) CTSSCTSKCTSBCTSLALDH1A1
SCHEMBL3708373 0.85 CTSS (0.52) CTSSCTSKCTSBCTSLALDH1A1
SCHEMBL8920617 0.84 CTSS (0.48) GHSRCTSSCTSKCTSBCTSL
SCHEMBL7976216 0.83 GHSR (0.48) GHSRCTSSCTSKCTSBNAALAD2
SCHEMBL7976208 0.83 GHSR (0.48) GHSRCTSSCTSKCTSBNAALAD2
SCHEMBL14102903 0.82 GHSR (0.60) GHSRCTSSNAALAD2MAPT

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