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Sugi Predict / Compounds / SCHEMBL9717732

SCHEMBL9717732

SCHEMBL9717732

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)N)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 10/20 0.68
▸ NPY4R P50391 8/20 0.68
▸ NPY5R Q15761 8/20 0.68
▸ NPY1R P25929 8/20 0.68
▸ CALCR P30988 5/20 0.66
▸ RAMP3 O60896 1/20 0.65
▸ TFPI P10646 3/20 0.64
▸ MAPK8 P45983 1/20 0.62
▸ MAPK9 P45984 1/20 0.62
▸ MAPK10 P53779 1/20 0.62

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
SCHEMBL31012330 0.95 NPY2R (0.66) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432502 0.94 NPY2R (0.67) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30335483 0.94 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658298 0.94 NPY2R (0.71) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432747 0.93 CALCR (0.70) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29530732 0.92 NPY2R (0.66) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL8814395 0.92 NPY2R (0.71) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29810268 0.92 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30433571 0.92 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31000870 0.92 MAPK8 (0.67) NPY2RNPY4RNPY5RNPY1RCALCR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164370-A PEPTIDE ANALOGUES OF INSULIN-LIKE GROWTH FACTOR 1 (IGF-1) OR FACTOR 2 (IGF-2) GROPEP PTY. LTD. (AU) 1992-11-17 — — US disclosed
EP-0346429-A4 PEPTIDE ANALOGUES OF INSULIN-LIKE GROWTH FACTOR 1 (IGF-1) OR FACTOR 2 (IGF-2) — 1990-10-10 — — EP disclosed
EP-0346429-A1 PEPTIDE ANALOGUES OF INSULIN-LIKE GROWTH FACTOR 1 (IGF-1) OR FACTOR 2 (IGF-2). GROPEP PTY LTD (AU) 1989-12-20 — — EP disclosed
WO-1989005822-A1 PEPTIDE ANALOGUES OF INSULIN-LIKE GROWTH FACTOR 1 (IGF-1) OR FACTOR 2 (IGF-2) GROPEP PTY. LTD. (AU) 1989-06-29 — — WO disclosed
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