SCHEMBL30512596

SCHEMBL30512596

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.67
▸ NPY1R P25929 8/20 0.67
▸ NPY5R Q15761 7/20 0.67
▸ NPY2R P49146 4/20 0.67
▸ TFPI P10646 1/20 0.62
▸ VIPR1 P32241 1/20 0.55
▸ VIPR2 P41587 1/20 0.55
▸ KISS1R Q969F8 2/20 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
SCHEMBL29875750 0.90 NPY4R (0.73) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7595627 0.89 NPY4R (0.67) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7595615 0.89 NPY4R (0.67) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30309259 0.89 NPY4R (0.65) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29450227 0.89 NPY4R (0.69) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30567795 0.88 NPY4R (0.71) NPY4RNPY1RNPY5RNPY2RVIPR1
SCHEMBL29430569 0.88 TFPI (0.70) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL31305352 0.87 NPY4R (0.87) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL6473543 0.87 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL6473554 0.87 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2RKISS1R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116490215-A Targeted mediated endocytic drug delivery CRM医疗有限公司 2023-07-25 — — CN disclosed
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