Sugi Predict

Sugi Predict / Compounds / SCHEMBL29995500

SCHEMBL29995500

SCHEMBL29995500

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 4/20 0.63
▸ C5AR1 P21730 1/20 0.63
▸ MC4R P32245 1/20 0.58
▸ OPRM1 P35372 6/20 0.57
▸ OPRK1 P41145 6/20 0.57
▸ NMUR2 Q9GZQ4 3/20 0.57
▸ NMUR1 Q9HB89 3/20 0.57
▸ CXCR4 P61073 1/20 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
SCHEMBL29599996 1.00 APLNR (0.63) APLNRC5AR1MC4ROPRM1OPRK1
SCHEMBL30176412 0.88 MC4R (0.63) APLNRMC4RNMUR2NMUR1CXCR4
SCHEMBL29697076 0.88 NMUR2 (0.62) OPRM1OPRK1NMUR2NMUR1
SCHEMBL30495678 0.88 C5AR1 (0.66) APLNRC5AR1MC4RCXCR4
SCHEMBL30974009 0.88 C5AR1 (0.62) APLNRC5AR1OPRM1OPRK1
SCHEMBL30576961 0.88 RAMP3 (0.59) APLNRC5AR1CXCR4
SCHEMBL30974276 0.87 F2 (0.61) APLNRC5AR1OPRM1CXCR4
SCHEMBL29416132 0.87 APLNR (0.56) APLNRC5AR1CXCR4
SCHEMBL30646310 0.87 APLNR (0.56) APLNRC5AR1CXCR4
SCHEMBL30884601 0.87 APLNR (0.58) APLNRC5AR1NMUR2NMUR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574291-B Bioactive peptide SHRKFSAPRHGLGFLPR and preparation method and application thereof 上海交通大学 2022-10-21 — — CN claimed
CN-112574291-B Bioactive peptide SHRKFSAPRHGLGFLPR and preparation method and application thereof 上海交通大学 2022-10-21 — — CN disclosed
CN-112574291-B Bioactive peptide SHRKFSAPRHGLGFLPR and preparation method and application thereof 上海交通大学 2022-10-21 — — CN disclosed
Send feedback