Sugi Predict

Sugi Predict / Compounds / SCHEMBL29652666

SCHEMBL29652666

SCHEMBL29652666

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.66
▸ CRHR1 P34998 1/20 0.66
▸ CRHR2 Q13324 1/20 0.66
▸ GLP1R P43220 9/20 0.63
▸ CCKBR P32239 3/20 0.63
▸ F2 P00734 4/20 0.59
▸ HCRTR1 O43613 1/20 0.59
▸ HCRTR2 O43614 1/20 0.59
▸ GCGR P47871 6/20 0.59
▸ GIPR P48546 6/20 0.59

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
SCHEMBL30520007 0.96 CALCR (0.66) CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL29652664 0.94 CALCR (0.63) CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL31222181 0.91 CALCR (0.64) CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL29597451 0.90 CALCR (0.66) CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL30598141 0.89 CALCR (0.76) CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL30598121 0.89 CALCR (0.75) CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL30598167 0.88 CALCR (0.69) CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL30495614 0.88 CRHR1 (0.67) CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL30658344 0.87 CALCR (0.68) CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL30974096 0.87 CALCR (0.62) CALCRCRHR1CRHR2GLP1RCCKBR

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-11839647-B2 Methods for inducing partial apoptosis using caspase polypeptides BELLICUM PHARMACEUTICALS, INC. (US) 2023-12-12 — — US disclosed
US-20220152100-A1 METHODS FOR CONTROLLED ACTIVATION OR ELIMINATION OF THERAPEUTIC CELLS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2022-05-19 — — US disclosed
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