SCHEMBL30104120

SCHEMBL30104120

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)c(C=O)c1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.45
▸ OPRD1 P41143 2/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ KISS1R Q969F8 2/20 0.43
▸ NPY4R P50391 9/20 0.43
▸ NPY1R P25929 5/20 0.43
▸ NPY2R P49146 4/20 0.43
▸ NPY5R Q15761 4/20 0.43
▸ ECE1 P42892 1/20 0.40
▸ GLP1R P43220 1/20 0.40
▸ MUS81 Q96NY9 1/20 0.40
▸ OPRL1 P41146 1/20 0.40

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
Laminin SCHEMBL2182800 0.89 OPRD1 (0.55) OPRM1OPRD1OPRK1KISS1RNPY4R
Laminin SCHEMBL2182807 0.89 OPRD1 (0.55) OPRM1OPRD1OPRK1KISS1RNPY4R
SCHEMBL29479578 0.84 OPRM1 (0.53) OPRM1OPRD1OPRK1KISS1RNPY4R
SCHEMBL31307267 0.84 OPRM1 (0.56) OPRM1OPRD1OPRK1KISS1ROPRL1
SCHEMBL30211355 0.83 NPY4R (0.52) OPRM1OPRD1OPRK1KISS1RNPY4R
SCHEMBL29502186 0.81 NPY4R (0.52) OPRM1OPRD1OPRK1NPY4RNPY1R
SCHEMBL31002895 0.80 NPY4R (0.54) OPRM1OPRD1OPRK1KISS1RNPY4R
SCHEMBL30405659 0.80 NPY4R (0.53) OPRM1OPRD1OPRK1NPY4RNPY1R
SCHEMBL4082293 0.79 NPY4R (0.41) OPRM1OPRD1OPRK1NPY4RNPY1R
SCHEMBL4082284 0.79 NPY4R (0.41) OPRM1OPRD1OPRK1NPY4RNPY1R

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-115353546-A Preparation and application of oligopeptide-modified bis-indolylethyl-beta-carboline-3-carboxylic acid 首都医科大学 2022-11-18 — — CN disclosed
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