SCHEMBL29442102

SCHEMBL29442102

CNCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 3/20 0.58
▸ NPY5R Q15761 4/20 0.54
▸ NPY1R P25929 3/20 0.54
▸ NPY4R P50391 3/20 0.54
▸ NMUR2 Q9GZQ4 5/20 0.53
▸ NMUR1 Q9HB89 5/20 0.53
▸ OPRM1 P35372 7/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ NPY2R P49146 1/20 0.49
▸ OPRK1 P41145 6/20 0.49
▸ NTSR1 P30989 1/20 0.49

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
SCHEMBL29442113 0.94 EPHA2 (0.58) EPHA2NPY5RNPY1RNPY4RNMUR2
SCHEMBL29442118 0.87 EPHA2 (0.57) EPHA2NPY5RNPY1RNPY4ROPRM1
SCHEMBL29442099 0.85 OPRD1 (0.59) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL34470213 0.81 C5AR1 (0.60) EPHA2NPY5RNPY1RNPY4RNPY2R
SCHEMBL26454899 0.80 NMUR2 (0.57) EPHA2NPY5RNPY1RNPY4RNMUR2
SCHEMBL13402619 0.80 OPRM1 (0.58) EPHA2NPY1RNMUR2NMUR1OPRM1
SCHEMBL30050976 0.80 OPRD1 (0.63) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL30892660 0.80 EPHA2 (0.58) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL11333637 0.79 OPRM1 (0.64) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL19780502 0.79 C5AR1 (0.54) EPHA2NMUR2NMUR1OPRM1OPRD1

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
US-20220096656-A1 NANOCARRIERS HAVING SURFACE CONJUGATED PEPTIDES AND USES THEREOF FOR SUSTAINED LOCAL RELEASE OF DRUGS NORTHWESTERN UNIVERSITY 2022-03-31 — — US disclosed
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