Sugi Predict

Sugi Predict / Compounds / SCHEMBL29652674

SCHEMBL29652674

SCHEMBL29652674

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCSC)C(=O)O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.73
▸ GLP1R P43220 1/20 0.62
▸ NPY2R P49146 7/20 0.61
▸ NPY4R P50391 7/20 0.61
▸ NPY5R Q15761 7/20 0.61
▸ NPY1R P25929 5/20 0.61
▸ CRHR1 P34998 1/20 0.61
▸ CRHR2 Q13324 1/20 0.61
▸ APLNR P35414 1/20 0.61
▸ F2 P00734 1/20 0.60
▸ HCRTR1 O43613 1/20 0.60
▸ HCRTR2 O43614 1/20 0.60

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
SCHEMBL30200345 0.96 CALCR (0.69) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30952009 0.95 CALCR (0.68) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30862318 0.93 CALCR (0.69) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658357 0.93 CALCR (0.75) CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL29389060 0.93 CALCR (0.72) CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL30658284 0.92 CALCR (0.76) CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL29494575 0.91 CALCR (0.76) CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL30686820 0.91 CALCR (0.76) CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL30686827 0.91 CALCR (0.76) CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL30432891 0.91 CALCR (0.65) CALCRGLP1RCRHR1CRHR2APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368574-A1 DUAL CONTROLS FOR THERAPEUTIC CELL ACTIVATION OR ELIMINATION BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2024-11-07 — — US disclosed
US-11839647-B2 Methods for inducing partial apoptosis using caspase polypeptides BELLICUM PHARMACEUTICALS, INC. (US) 2023-12-12 — — US disclosed
US-20230270831-A1 METHODS FOR INDUCING SELECTIVE APOPTOSIS BAYLOR COLLEGE OF MEDICINE 2023-08-31 — — 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
Send feedback