SCHEMBL27381707

SCHEMBL27381707

CNCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NC(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.53
▸ OPRM1 P35372 6/20 0.53
▸ OPRK1 P41145 2/20 0.53
▸ CTSS P25774 3/20 0.52
▸ CTSL P07711 3/20 0.52
▸ CTSB P07858 2/20 0.52
▸ REN P00797 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ CTSK P43235 2/20 0.48

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
SCHEMBL20880680 0.91 CTSS (0.53) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL27376928 0.90 OPRD1 (0.53) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL25774591 0.90 OPRD1 (0.53) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL29330070 0.90 CTSS (0.52) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL25148131 0.90 OPRD1 (0.53) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL24774075 0.90 OPRD1 (0.53) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL20345236 0.89 CTSS (0.53) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL25976737 0.88 CTSS (0.55) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL27382220 0.88 OPRD1 (0.51) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL24642302 0.88 CTSS (0.50) OPRD1OPRM1OPRK1CTSSCTSL

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-2024073610-A2 COMPOSITIONS AND USES THEREOF SOLVE THERAPEUTICS, INC. (US) 2024-04-04 — — WO disclosed
Send feedback