SCHEMBL26512014

SCHEMBL26512014

CCNCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ OPRD1 P41143 7/20 0.45
▸ OPRM1 P35372 5/20 0.45
▸ OPRK1 P41145 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ REN P00797 1/20 0.44
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ MMP1 P03956 1/20 0.42
▸ FCER2 P06734 1/20 0.42
▸ PSMB5 P28074 2/20 0.42
▸ CTSK P43235 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL26495760 0.90 CTSL (0.46) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL18477610 0.87 CTSS (0.49) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL25751083 0.85 CTSS (0.50) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL27382220 0.85 OPRD1 (0.51) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL27361383 0.84 OPRD1 (0.49) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL26575093 0.83 CTSS (0.47) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL27101824 0.82 CTSS (0.53) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL26499164 0.81 CTSB (0.46) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL25148526 0.79 CTSS (0.53) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL29330070 0.78 CTSS (0.52) CTSSCTSLCTSBOPRD1OPRM1

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-4257154-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2023-10-11 — — EP disclosed
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