SCHEMBL29979398

SCHEMBL29979398

CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.59
▸ VIPR2 P41587 6/20 0.55
▸ VIPR1 P32241 4/20 0.55
▸ IL23R Q5VWK5 6/20 0.53
▸ NPY4R P50391 4/20 0.53
▸ NPY1R P25929 3/20 0.53
▸ NPY2R P49146 2/20 0.53
▸ NPY5R Q15761 2/20 0.53

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
SCHEMBL29979938 0.96 TFPI (0.61) TFPIVIPR2VIPR1IL23RNPY4R
SCHEMBL29611536 0.91 NPY4R (0.58) TFPIVIPR2VIPR1NPY4RNPY1R
SCHEMBL29512422 0.90 NPY4R (0.61) TFPIVIPR2VIPR1IL23RNPY4R
SCHEMBL29558454 0.89 TFPI (0.69) TFPIVIPR2VIPR1NPY4RNPY1R
SCHEMBL30342387 0.89 TFPI (0.57) TFPIVIPR2VIPR1IL23RNPY4R
SCHEMBL29611523 0.89 NPY4R (0.60) TFPIVIPR2VIPR1IL23RNPY4R
SCHEMBL29757876 0.88 NPY4R (0.57) IL23RNPY4RNPY1RNPY2RNPY5R
SCHEMBL8815384 0.88 NPY4R (0.62) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL8813021 0.88 NPY4R (0.62) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL10940573 0.88 NPY4R (0.62) TFPIVIPR2VIPR1NPY4RNPY1R

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-115160405-B Cornu Saigae Tataricae characteristic peptide fragment and detection method thereof 南京中医药大学 2024-05-07 — — CN disclosed
CN-115160405-A Antelope horn characteristic peptide fragment and detection method thereof 南京中医药大学 2022-10-11 — — CN disclosed
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