Sugi Predict

Sugi Predict / Compounds / SCHEMBL29707172

SCHEMBL29707172

SCHEMBL29707172

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.62
▸ F2 P00734 4/20 0.60
▸ APLNR P35414 2/20 0.59
▸ HCRTR1 O43613 1/20 0.58
▸ HCRTR2 O43614 1/20 0.58
▸ OPRD1 P41143 2/20 0.55
▸ NTSR1 P30989 1/20 0.54
▸ C5AR1 P21730 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
SCHEMBL30607457 0.90 CALCR (0.65) CALCRF2APLNRHCRTR1HCRTR2
SCHEMBL30444321 0.88 APLNR (0.63) CALCRF2APLNRHCRTR1HCRTR2
SCHEMBL30431750 0.87 F2 (0.70) CALCRF2APLNRHCRTR1HCRTR2
SCHEMBL30432534 0.87 CALCR (0.76) CALCRF2HCRTR1HCRTR2
SCHEMBL29733646 0.87 CALCR (0.49) CALCRF2HCRTR1HCRTR2OPRD1
SCHEMBL30444134 0.86 APLNR (0.63) CALCRF2APLNRHCRTR1HCRTR2
SCHEMBL30008485 0.86 CALCR (0.62) CALCRF2APLNRHCRTR1HCRTR2
SCHEMBL31182860 0.85 CALCR (0.77) CALCRF2HCRTR1HCRTR2
SCHEMBL31182671 0.85 CALCR (0.70) CALCRF2HCRTR1HCRTR2
SCHEMBL31182452 0.85 CALCR (0.67) CALCRF2APLNRHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114796517-A Structure modification method for increasing transdermal efficacy of exosome 安博威生物科技(厦门)有限公司 2022-07-29 — — CN claimed
CN-114796517-A Structure modification method for increasing transdermal efficacy of exosome 安博威生物科技(厦门)有限公司 2022-07-29 — — CN disclosed
Send feedback