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SCHEMBL30599003

SCHEMBL30599003

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 3/20 0.51
▸ CDK2 P24941 3/20 0.51
▸ CCNA1 P78396 3/20 0.51
▸ NTSR2 O95665 1/20 0.49
▸ NTSR1 P30989 1/20 0.49
▸ CDK4 P11802 1/20 0.48
▸ CCND1 P24385 1/20 0.48
▸ BACE1 P56817 3/20 0.47
▸ BACE2 Q9Y5Z0 1/20 0.47
▸ KISS1R Q969F8 2/20 0.47
▸ NPBWR1 P48145 2/20 0.47
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ NPY4R P50391 3/20 0.46
▸ NPY1R P25929 2/20 0.46
▸ NPY2R P49146 2/20 0.46
▸ NPY5R Q15761 2/20 0.46
▸ GLP1R P43220 1/20 0.46
▸ CRHR1 P34998 1/20 0.46

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
SCHEMBL31679104 0.91 NPY4R (0.52) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL30957808 0.87 GLP1R (0.57) BACE1GLP1RCRHR1CRHR2
Kklfkkilkfl-Nh2 SCHEMBL29361484 0.86 NTSR2 (0.57) NTSR2NTSR1KISS1ROPRM1OPRD1
SCHEMBL31182644 0.86 CALCR (0.54) BACE1GLP1RCRHR1CRHR2
Kklfkkilkvl-Nh2 SCHEMBL30396617 0.84 NTSR2 (0.55) NTSR2NTSR1BACE1BACE2KISS1R
SCHEMBL30433504 0.84 NTSR2 (0.48) CCNA2CDK2CCNA1NTSR2NTSR1
SCHEMBL31147166 0.84 F2 (0.48) CCNA2CDK2CCNA1NTSR2NTSR1
SCHEMBL31746151 0.83 F2 (0.47) CCNA2CDK2CCNA1NTSR2NTSR1
SCHEMBL29362467 0.83 NTSR2 (0.63) NTSR2NTSR1KISS1ROPRM1OPRD1
SCHEMBL30433042 0.83 CCNA2 (0.46) CCNA2CDK2CCNA1NTSR2NTSR1

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-116874614-B Antibacterial polypeptide APH171 with high activity and low cracking effect, and preparation method and application thereof 南京华盖制药有限公司 2023-11-17 — — CN disclosed
CN-116874614-A Antibacterial polypeptide APH171 with high activity and low cracking effect, and preparation method and application thereof 南京华盖制药有限公司 2023-10-13 — — CN disclosed
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