SCHEMBL7340108

SCHEMBL7340108

CC(C)(NC(Cc1ccc(-c2ccccc2)cc1)C(=O)NCCc1nnnn1CCC#N)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 2/20 0.43
GHSR Q92847 4/20 0.42
CTSS P25774 5/20 0.42
CTSK P43235 5/20 0.42
CTSB P07858 4/20 0.40
CTSL P07711 5/20 0.40
TRPV1 Q8NER1 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7340085 0.84 NAALAD2 (0.42) NAALAD2GHSRCTSSCTSKCTSB
SCHEMBL7340127 0.82 NAALAD2 (0.41) NAALAD2GHSRCTSSCTSKCTSB
SCHEMBL7309944 0.74 MMEL1 (0.61) L3MBTL1
SCHEMBL7340088 0.70 GHSR (0.40) NAALAD2GHSRCTSSCTSKCTSB
SCHEMBL7308495 0.70 CTSS (0.52) CTSSCTSKCTSBCTSLL3MBTL1
SCHEMBL2875842 0.69 NAALAD2 (0.47) NAALAD2GHSR
SCHEMBL2869892 0.69 NAALAD2 (0.47) NAALAD2GHSR
SCHEMBL7322706 0.69 MME (0.59)
SCHEMBL7348036 0.69 MME (0.59)
SCHEMBL8921747 0.68 GHSR (0.58) NAALAD2GHSRCTSSCTSKCTSB

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
EP-0592367-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed