SCHEMBL31174225

SCHEMBL31174225

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 11/20 0.66
▸ RXFP1 Q9HBX9 1/20 0.64
▸ IL23R Q5VWK5 6/20 0.62
▸ GLP1R P43220 2/20 0.61
▸ GCGR P47871 1/20 0.61
▸ GIPR P48546 1/20 0.61
▸ CCKBR P32239 1/20 0.58

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
SCHEMBL30607309 0.90 PTH1R (0.65) PTH1RRXFP1IL23RGLP1RGCGR
SCHEMBL30811926 0.90 NPBWR1 (0.61) PTH1RRXFP1IL23RGLP1RGCGR
SCHEMBL31182453 0.89 RXFP1 (0.65) PTH1RRXFP1IL23RGLP1RGCGR
SCHEMBL30405497 0.89 GRPR (0.58) PTH1RRXFP1IL23RCCKBR
SCHEMBL29416201 0.88 PTH1R (0.64) PTH1RRXFP1IL23RGLP1RGCGR
SCHEMBL30432244 0.88 GLP1R (0.62) PTH1RRXFP1IL23RGLP1RGCGR
SCHEMBL30607417 0.88 IL23R (0.66) PTH1RRXFP1IL23RGLP1RGCGR
SCHEMBL30431880 0.87 PTH1R (0.71) PTH1RRXFP1IL23RGLP1RGCGR
SCHEMBL29725771 0.87 GRPR (0.59) PTH1RRXFP1IL23R
SCHEMBL30028783 0.87 RXFP1 (0.67) PTH1RRXFP1IL23RGLP1RGCGR

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
CN-118853746-A Application of brassica BnNST gene in improving crack resistance of brassica napus 中国农业科学院油料作物研究所 2024-10-29 — — CN disclosed
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