Sugi Predict

Sugi Predict / Compounds / SCHEMBL29489234

SCHEMBL29489234

SCHEMBL29489234

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

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 8/20 0.64
▸ RAMP3 O60896 6/20 0.64
▸ NPY2R P49146 7/20 0.58
▸ NPY4R P50391 7/20 0.58
▸ NPY5R Q15761 7/20 0.58
▸ NPY1R P25929 5/20 0.58
▸ C5AR1 P21730 1/20 0.58
▸ MC4R P32245 1/20 0.55
▸ TFPI P10646 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
SCHEMBL29489233 1.00 CALCR (0.64) CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL30883275 0.91 CALCR (0.62) CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL29416003 0.88 CALCR (0.63) CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL31182654 0.88 NPY2R (0.66) CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL30432942 0.88 CALCR (0.68) CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL29593655 0.88 C5AR1 (0.69) NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL29593115 0.88 C5AR1 (0.69) NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL29593954 0.88 C5AR1 (0.69) NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL30712966 0.87 NPY2R (0.61) CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL31169469 0.87 C5AR1 (0.61) CALCRRAMP3NPY2RNPY4RNPY5R

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
CN-112851762-B Human milk endogenous antibacterial polypeptide and application thereof in preparation of anti-inflammatory drugs 中国科学院大连化学物理研究所 2022-03-08 — — CN disclosed
CN-112851762-B Human milk endogenous antibacterial polypeptide and application thereof in preparation of anti-inflammatory drugs 中国科学院大连化学物理研究所 2022-03-08 — — CN disclosed
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