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SCHEMBL29406603

SCHEMBL29406603

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.54
▸ CCKAR P32238 1/20 0.54
▸ CCKBR P32239 1/20 0.54
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ TACR3 P29371 1/20 0.53
▸ BACE1 P56817 1/20 0.52
▸ BACE2 Q9Y5Z0 1/20 0.52

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
SCHEMBL29569383 0.97 OPRM1 (0.57) CTSBCCKARCCKBROPRM1OPRD1
SCHEMBL29678561 0.94 CCKAR (0.51) CCKARCCKBROPRM1OPRD1OPRK1
SCHEMBL29678344 0.92 NPY4R (0.56) —
Neurokinin B SCHEMBL29390479 0.90 GRPR (0.59) —
Neurokinin B SCHEMBL29440672 0.90 GRPR (0.59) —
Neurokinin B SCHEMBL29372314 0.89 GRPR (0.53) CCKARCCKBR
SCHEMBL8019418 0.89 OPRD1 (0.58) OPRM1OPRD1OPRK1
SCHEMBL2189862 0.88 OPRM1 (0.55) OPRM1OPRD1OPRK1TACR3
SCHEMBL31230203 0.87 OPRM1 (0.60) CTSBOPRM1OPRD1OPRK1BACE1
SCHEMBL29678374 0.86 OPRM1 (0.52) CTSBOPRM1OPRD1OPRK1

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-2022055196-A1 MULTI-ANTENNA-BASED PRECODING METHOD AND DEVICE IN WIRELESS COMMUNICATION SYSTEM 삼성전자 주식회사 2022-03-17 — — WO disclosed
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