SCHEMBL29504116

SCHEMBL29504116

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.64
▸ KISS1R Q969F8 5/20 0.60
▸ NPY1R P25929 1/20 0.58
▸ NPY2R P49146 1/20 0.58
▸ NPY4R P50391 1/20 0.58
▸ NPY5R Q15761 1/20 0.58
▸ NMBR P28336 2/20 0.57
▸ GRPR P30550 2/20 0.57
▸ GLP1R P43220 3/20 0.57
▸ GCGR P47871 3/20 0.57
▸ CXCR4 P61073 2/20 0.57
▸ CTSL P07711 2/20 0.56
▸ CTSS P25774 2/20 0.56
▸ CTSK P43235 2/20 0.56
▸ CTSH P09668 1/20 0.56
▸ IL23R Q5VWK5 1/20 0.55
▸ RAMP3 O60896 1/20 0.55
▸ CALCR P30988 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
SCHEMBL29904607 0.98 C5AR1 (0.62) C5AR1KISS1RNPY1RNPY2RNPY4R
SCHEMBL29904606 0.93 NMBR (0.60) C5AR1KISS1RNPY1RNPY2RNPY4R
SCHEMBL29965312 0.89 NPY1R (0.68) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29459900 0.88 C5AR1 (0.65) C5AR1KISS1RNPY1RNPY2RNPY4R
Acetic Acid SCHEMBL29810985 0.88 C5AR1 (0.64) C5AR1KISS1RNPY1RNPY2RNPY4R
SCHEMBL31182480 0.88 C5AR1 (0.64) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29425255 0.87 C5AR1 (0.68) C5AR1KISS1RNPY1RNPY2RNPY4R
SCHEMBL30392901 0.87 C5AR1 (0.65) C5AR1KISS1RNPY1RNPY2RNPY4R
SCHEMBL29913348 0.86 C5AR1 (0.58) C5AR1KISS1RGLP1RGCGRCXCR4
SCHEMBL9631356 0.86 C5AR1 (0.62) C5AR1KISS1RCXCR4CTSLCTSS

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
US-20250000384-A1 METHODS FOR MAGNETIC RESONANCE IMAGING OF NANOCONSTRUCTS AND USES THEREOF KUVA LABS INC. 2025-01-02 — — US disclosed
US-20230406882-A1 CARDIAC-SPECIFIC TARGETING-PEPTIDE (CTP), COMPOSITIONS, AND USES THEREOF UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2023-12-21 — — US disclosed
CN-114269337-A IR700 nano composition for cardiac therapy and application 卡洛勒姆马有限责任公司 2022-04-01 — — CN disclosed
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