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Sugi Predict / Compounds / SCHEMBL31507665

SCHEMBL31507665

SCHEMBL31507665

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)O)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 9/20 0.63
▸ NPY2R P49146 7/20 0.58
▸ NPY4R P50391 7/20 0.58
▸ NPY5R Q15761 7/20 0.58
▸ NPY1R P25929 5/20 0.58
▸ CXCR4 P61073 1/20 0.56
▸ RAMP3 O60896 5/20 0.56
▸ EP300 Q09472 1/20 0.55
▸ HIF1A Q16665 1/20 0.55

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
SCHEMBL29414492 0.94 CALCR (0.68) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30938249 0.94 CALCR (0.68) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30938250 0.94 CALCR (0.67) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29370426 0.94 CALCR (0.67) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30028547 0.93 CALCR (0.65) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182737 0.92 CALCR (0.57) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567784 0.92 NPY2R (0.61) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658199 0.90 NPY2R (0.63) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31255209 0.90 CALCR (0.59) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182942 0.89 NPY2R (0.59) CALCRNPY2RNPY4RNPY5RNPY1R

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
WO-2025093926-A1 A METHOD OF MINIMIZING OR ELIMINATING NEPHROTOXICITY IN PATIENTS UNDERGOING CISPLATIN-BASED CHEMOTHERAPY VIA SEQUENTIAL ADMINISTRATION OF A PROTECTIVE AGENT FOLLOWED BY A TOXIC AGENT AKIHIKO SAITO (JP) 2025-05-08 — — WO disclosed
WO-2025097170-A1 A METHOD OF MINIMIZING OR ELIMINATING NEPHROTOXICITY IN PATIENTS UNDERGOING TREATMENT WITH ANTIMICROBIAL OR ANTICANCER DRUGS PROLETARIAT THERAPEUTICS, INC. (US) 2025-05-08 — — WO disclosed
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