SCHEMBL31743445

SCHEMBL31743445

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.59
▸ NPY2R P49146 8/20 0.57
▸ NPY4R P50391 8/20 0.57
▸ NPY5R Q15761 8/20 0.57
▸ NPY1R P25929 6/20 0.57
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ CALCRL Q16602 1/20 0.56
▸ NMUR2 Q9GZQ4 3/20 0.56
▸ NMUR1 Q9HB89 3/20 0.56
▸ RAMP3 O60896 1/20 0.55
▸ CALCR P30988 1/20 0.55
▸ EP300 Q09472 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ TFPI P10646 1/20 0.54

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
SCHEMBL31743442 0.95 NPY2R (0.60) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL29614950 0.91 RAMP3 (0.63) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30804659 0.91 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30824295 0.91 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31027702 0.89 EPHA2 (0.65) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30262172 0.89 EPHA2 (0.59) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL29545383 0.88 MAPK8 (0.67) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30826816 0.88 MAPK8 (0.65) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30176425 0.88 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RNMUR2
SCHEMBL30495657 0.88 EPHA2 (0.63) EPHA2NPY2RNPY4RNPY5RNPY1R

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-3901166-B1 POLYPEPTIDE HAVING EFFECT OF INHIBITING PROLIFERATION OF LEUKEMIA CELLS NANJING FENGRUI BIOTECHNOLOGY CO LTD (CN) 2025-12-17 — — EP claimed
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