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SCHEMBL29797992

SCHEMBL29797992

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.58
▸ NPY2R P49146 6/20 0.57
▸ NPY4R P50391 6/20 0.57
▸ NPY5R Q15761 6/20 0.57
▸ NPY1R P25929 4/20 0.57
▸ TFPI P10646 4/20 0.57
▸ APLNR P35414 2/20 0.57
▸ KDM1A O60341 1/20 0.57
▸ CALCR P30988 3/20 0.56

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
SCHEMBL29798261 0.96 C5AR1 (0.60) C5AR1TFPIAPLNRKDM1ACALCR
SCHEMBL29798188 0.92 C5AR1 (0.60) C5AR1TFPICALCR
SCHEMBL31182473 0.89 NPY2R (0.70) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30906525 0.89 CALCR (0.65) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30437136 0.88 NPY2R (0.61) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29833226 0.88 F2 (0.62) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30431782 0.87 CALCR (0.65) NPY2RNPY4RNPY5RNPY1RAPLNR
SCHEMBL30432646 0.87 CALCR (0.67) C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL30712933 0.87 C5AR1 (0.62) C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL31182896 0.87 CALCR (0.66) NPY2RNPY4RNPY5RNPY1RTFPI

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-20220259265-A1 Inhibitors and Use Thereof in Cancer Treatment THE UNIVERSITY OF SYDNEY (AU) 2022-08-18 — — US disclosed
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