SCHEMBL29641795

SCHEMBL29641795

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 6/20 0.60
▸ AGTR2 P50052 5/20 0.52
▸ AGTR1 P30556 4/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ CMA1 P23946 2/20 0.51
▸ REN P00797 2/20 0.51
▸ RAMP1 O60894 1/20 0.51
▸ OPRM1 P35372 2/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ OPRK1 P41145 1/20 0.49

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
SCHEMBL29641790 0.88 GRB2 (0.49) CALCRLAGTR2AGTR1SLC6A2CMA1
SCHEMBL29641650 0.88 GRB2 (0.49) CALCRLAGTR2AGTR1SLC6A2CMA1
SCHEMBL30760717 0.87 REN (0.55) SLC6A2RENOPRM1OPRD1OPRK1
SCHEMBL30150546 0.86 GRB2 (0.52) CALCRLAGTR2AGTR1SLC6A2CMA1
SCHEMBL30150551 0.86 CALCRL (0.58) CALCRLAGTR2AGTR1SLC6A2RAMP1
SCHEMBL29680100 0.85 F2 (0.56) CALCRLSLC6A2RAMP1OPRM1OPRD1
SCHEMBL38665437 0.85 CAPN1 (0.54) CALCRLSLC6A2RENOPRM1OPRD1
SCHEMBL29695430 0.85 OPRM1 (0.58) SLC6A2OPRM1OPRD1OPRK1
SCHEMBL29664244 0.83 OPRM1 (0.57) OPRM1OPRD1OPRK1
SCHEMBL29641646 0.82 GRB2 (0.48) CALCRLAGTR2AGTR1RAMP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409709-A1 LABYRINTHIN-BASED PEPTIDES FOR CANCER IMMUNOTHERAPIES AND USES THEREOF LABYRX IMMUNOLOGIC THERAPEUTICS USA LTD (US) 2022-12-29 — — US disclosed
US-20220089719-A1 CONSTRUCTS TARGETING LABYRINTHIN OR A PORTION THEREOF AND USES THEREOF LABYRX IMMUNOLOGIC THERAPEUTICS (USA) LIMITED (US) 2022-03-24 — — US disclosed
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