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Sugi Predict / Compounds / SCHEMBL29972934

SCHEMBL29972934

SCHEMBL29972934

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

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VIPR1 P32241 4/20 0.48
▸ RXFP1 Q9HBX9 2/20 0.46
▸ VIPR2 P41587 6/20 0.46
▸ TFPI P10646 1/20 0.44
▸ BACE1 P56817 1/20 0.44

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
SCHEMBL29833271 0.95 VIPR1 (0.52) VIPR1RXFP1VIPR2TFPIBACE1
SCHEMBL31465334 0.90 VIPR1 (0.54) VIPR1RXFP1VIPR2TFPIBACE1
SCHEMBL30417166 0.90 GRIN2D (0.48) BACE1
SCHEMBL29473700 0.89 ENPEP (0.43) VIPR1RXFP1VIPR2BACE1
SCHEMBL29650465 0.88 VIPR1 (0.52) VIPR1VIPR2TFPIBACE1
SCHEMBL30484832 0.87 FNTA (0.42) TFPI
SCHEMBL29473683 0.86 TFPI (0.43) VIPR1TFPI
SCHEMBL30512643 0.86 BACE1 (0.43) VIPR1RXFP1VIPR2BACE1
SCHEMBL29590382 0.86 RXFP1 (0.45) VIPR1RXFP1VIPR2BACE1
SCHEMBL29405680 0.86 VIPR1 (0.52) VIPR1RXFP1VIPR2TFPIBACE1

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-4067370-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS Yu, Chongxi (US) 2022-10-05 — — EP disclosed
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