SCHEMBL29546449

SCHEMBL29546449

N=C(N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.56
▸ CXCR4 P61073 5/20 0.56
▸ KISS1R Q969F8 2/20 0.55
▸ DPP3 Q9NY33 2/20 0.54
▸ OPRM1 P35372 3/20 0.52
▸ OPRD1 P41143 2/20 0.52
▸ IL23R Q5VWK5 1/20 0.52
▸ MC4R P32245 2/20 0.51
▸ MC5R P33032 2/20 0.51
▸ MC3R P41968 2/20 0.51
▸ MC1R Q01726 2/20 0.51
▸ CXCL8 P10145 1/20 0.50

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
SCHEMBL29476485 0.91 DPP3 (0.55) C5AR1CXCR4KISS1RDPP3OPRM1
SCHEMBL29476615 0.91 DPP3 (0.55) C5AR1CXCR4KISS1RDPP3OPRM1
SCHEMBL31482415 0.90 CXCR4 (0.56) C5AR1CXCR4DPP3IL23RCXCL8
SCHEMBL29500468 0.90 C5AR1 (0.59) C5AR1CXCR4KISS1RDPP3OPRM1
SCHEMBL29476509 0.90 KISS1R (0.55) C5AR1CXCR4KISS1RDPP3IL23R
SCHEMBL29476405 0.90 KISS1R (0.55) C5AR1CXCR4KISS1RDPP3IL23R
SCHEMBL30597309 0.90 DPP3 (0.57) C5AR1CXCR4KISS1RDPP3
SCHEMBL31376716 0.89 CXCR4 (0.55) C5AR1CXCR4KISS1RDPP3OPRM1
SCHEMBL30571131 0.89 C5AR1 (0.59) C5AR1KISS1RDPP3OPRM1CXCL8
SCHEMBL31612389 0.89 C5AR1 (0.55) C5AR1CXCR4KISS1RDPP3OPRM1

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
CN-113402587-B Octapeptide and application thereof in preparation of medicines for improving memory 荣成泰祥食品股份有限公司 2022-05-10 — — CN claimed
CN-113402587-B Octapeptide and application thereof in preparation of medicines for improving memory 荣成泰祥食品股份有限公司 2022-05-10 — — CN disclosed
CN-113402587-B Octapeptide and application thereof in preparation of medicines for improving memory 荣成泰祥食品股份有限公司 2022-05-10 — — CN disclosed
Send feedback