SCHEMBL23106781

SCHEMBL23106781

CCNC(=O)C(Cc1ccccc1)NC(=O)CNP

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.55
▸ CTSL P07711 4/20 0.55
▸ CTSB P07858 2/20 0.55
▸ CTSK P43235 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNB4 P30926 1/20 0.48
▸ CHRNA3 P32297 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48
▸ OPRD1 P41143 5/20 0.47
▸ OPRM1 P35372 4/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ PSMB5 P28074 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC8 Q9BY41 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
SCHEMBL18506559 0.88 CTSS (0.56) CTSSCTSLCTSBCTSKL3MBTL1
SCHEMBL21128010 0.88 CTSS (0.56) CTSSCTSLCTSBCTSKL3MBTL1
SCHEMBL13886178 0.86 PSMB5 (0.61) CTSSCTSLCTSBCTSKL3MBTL1
SCHEMBL23106777 0.86 REN (0.53) CTSSCTSLCTSBCTSKOPRD1
SCHEMBL11404183 0.86 CTSS (0.58) CTSSCTSLCTSBCTSKL3MBTL1
SCHEMBL20345236 0.84 CTSS (0.53) CTSSCTSLCTSBCTSKL3MBTL1
SCHEMBL16484810 0.83 CTSS (0.58) CTSSCTSLCTSBCTSKL3MBTL1
SCHEMBL16484787 0.83 CTSS (0.58) CTSSCTSLCTSBCTSKL3MBTL1
SCHEMBL988507 0.83 CHRNB2 (0.65) CTSSCTSLCTSBCTSKL3MBTL1
SCHEMBL24504162 0.83 OPRD1 (0.64) CTSSCTSLCTSBCTSKOPRD1

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-2021047470-A1 METHOD FOR PREPARING PEPTIDE AMIDE COMPOUND AND INTERMEDIATE THEREOF 四川海思科制药有限公司 2021-03-18 — — WO disclosed
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