SCHEMBL30544069

SCHEMBL30544069

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 8/20 0.48
▸ CALCR P30988 4/20 0.47
▸ VIPR2 P41587 4/20 0.44
▸ VIPR1 P32241 2/20 0.44
▸ CRHR1 P34998 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ CTSD P07339 1/20 0.44
▸ IL23R Q5VWK5 2/20 0.43

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
SCHEMBL29856056 0.89 CALCR (0.52) BACE1CALCRVIPR2VIPR1CRHR1
SCHEMBL30904413 0.86 BACE1 (0.45) BACE1CALCRVIPR2VIPR1CRHR1
SCHEMBL30668921 0.86 OPRK1 (0.48) BACE1CTSD
SCHEMBL31182644 0.86 CALCR (0.54) BACE1CALCRVIPR2VIPR1CRHR1
SCHEMBL29833166 0.86 CALCR (0.38) CALCRIL23R
SCHEMBL30168736 0.85 BACE1 (0.53) BACE1CALCRVIPR2VIPR1CTSD
SCHEMBL30168783 0.85 BACE1 (0.53) BACE1CALCRVIPR2VIPR1CTSD
SCHEMBL29682077 0.85 CALCR (0.40) CALCRIL23R
SCHEMBL29449897 0.85 BACE1 (0.47) BACE1CTSD
SCHEMBL30819418 0.84 UTS2R (0.43) BACE1

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-116712528-A Nereid active peptide composition and application thereof in preparation of antitumor drugs 滨州医学院 2023-09-08 — — CN claimed
CN-116712528-A Nereid active peptide composition and application thereof in preparation of antitumor drugs 滨州医学院 2023-09-08 — — CN disclosed
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