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SCHEMBL29655671

SCHEMBL29655671

NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CO)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.68
▸ CTSL P07711 3/20 0.58
▸ CTSS P25774 3/20 0.58
▸ CTSK P43235 3/20 0.58
▸ CTSH P09668 1/20 0.56
▸ F2 P00734 4/20 0.56
▸ CXCR4 P61073 3/20 0.55
▸ GLP1R P43220 3/20 0.55
▸ GCGR P47871 3/20 0.55
▸ NMBR P28336 1/20 0.55
▸ GRPR P30550 1/20 0.55
▸ TACR1 P25103 1/20 0.54
▸ MC4R P32245 1/20 0.54
▸ MC5R P33032 1/20 0.54
▸ MC3R P41968 1/20 0.54
▸ MC1R Q01726 1/20 0.54

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
SCHEMBL29793977 1.00 C5AR1 (0.68) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29387436 0.98 C5AR1 (0.68) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30518949 0.98 C5AR1 (0.69) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29389916 0.98 C5AR1 (0.68) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29655807 0.98 C5AR1 (0.68) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29794073 0.98 C5AR1 (0.68) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29794089 0.98 C5AR1 (0.69) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29655769 0.98 C5AR1 (0.69) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL32659744 0.97 C5AR1 (0.67) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29794005 0.97 C5AR1 (0.66) C5AR1CTSLCTSSCTSKCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240756-A1 CELLS EXPRESSING A CHIMERIC RECEPTOR FROM A MODIFIED INVARIANT CD3 IMMUNOGLOBULIN SUPERFAMILY CHAIN LOCUS AND RELATED POLYNUCLEOTIDES AND METHODS Juno Therapeutics, Inc. (US) 2023-09-13 — — EP disclosed
EP-4051402-A1 CELL SELECTION AND/OR STIMULATION DEVICES AND METHODS OF USE Juno Therapeutics GmbH (DE) 2022-09-07 — — EP disclosed
WO-2022098787-A1 CELLS EXPRESSING A CHIMERIC RECEPTOR FROM A MODIFIED INVARIANT CD3 IMMUNOGLOBULIN SUPERFAMILY CHAIN LOCUS AND RELATED POLYNUCLEOTIDES AND METHODS JUNO THERAPEUTICS, INC. (US) 2022-05-12 — — WO disclosed
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