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SCHEMBL29496487

SCHEMBL29496487

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.53
▸ KISS1R Q969F8 2/20 0.52
▸ CALCR P30988 4/20 0.51
▸ BACE1 P56817 3/20 0.49
▸ HCRTR1 O43613 1/20 0.49
▸ HCRTR2 O43614 1/20 0.49
▸ GLP1R P43220 1/20 0.49
▸ BACE2 Q9Y5Z0 1/20 0.48

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
SCHEMBL30168727 0.89 CALCR (0.54) F2CALCRHCRTR1HCRTR2GLP1R
SCHEMBL31690550 0.89 KISS1R (0.56) KISS1RBACE1BACE2
SCHEMBL30168687 0.88 GLP1R (0.58) F2CALCRGLP1R
SCHEMBL30168720 0.88 GLP1R (0.58) F2CALCRGLP1R
SCHEMBL30710217 0.88 BACE1 (0.52) F2KISS1RBACE1GLP1RBACE2
SCHEMBL30262090 0.88 BACE1 (0.47) F2CALCRBACE1HCRTR1HCRTR2
SCHEMBL30168721 0.87 F2 (0.57) F2CALCRBACE1GLP1R
SCHEMBL29678306 0.87 KISS1R (0.56) KISS1RBACE1BACE2
SCHEMBL29627568 0.87 KISS1R (0.54) KISS1RBACE1BACE2
SCHEMBL29836387 0.87 GLP1R (0.54) F2CALCRGLP1R

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
EP-3969467-A2 VARIANT SINGLE-CHAIN INSULIN ANALOGUES CASE WESTERN RESERVE UNIVERSITY (US) 2022-03-23 — — EP disclosed
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