SCHEMBL30863950

SCHEMBL30863950

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TASP1 Q9H6P5 1/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.48
▸ BACE1 P56817 1/20 0.47
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47
▸ GRIN3A Q8TCU5 1/20 0.47
▸ VIPR1 P32241 2/20 0.47
▸ PTH1R Q03431 3/20 0.46
▸ TFPI P10646 1/20 0.46
▸ VIPR2 P41587 2/20 0.45
▸ RAMP3 O60896 4/20 0.45
▸ CALCR P30988 4/20 0.45
▸ ECE1 P42892 1/20 0.44
▸ GLP1R P43220 1/20 0.44
▸ MUS81 Q96NY9 1/20 0.44

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
SCHEMBL29405680 0.91 VIPR1 (0.52) RXFP1BACE1GRIN2DGRIN3BGRIN1
SCHEMBL30512534 0.91 RXFP1 (0.51) TASP1RXFP1BACE1VIPR1TFPI
SCHEMBL30262107 0.91 RXFP1 (0.54) RXFP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31462927 0.91 TFPI (0.48) RXFP1VIPR1TFPIRAMP3CALCR
SCHEMBL30974368 0.90 ENPEP (0.48) TASP1RXFP1BACE1GRIN2DGRIN3B
SCHEMBL29788109 0.90 ENPEP (0.41) —
SCHEMBL30496681 0.90 ENPEP (0.41) —
SCHEMBL29788260 0.89 ENPEP (0.42) —
SCHEMBL31031568 0.87 NPY4R (0.49) BACE1TFPI
SCHEMBL31461988 0.87 NPY4R (0.47) BACE1TFPI

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-114088853-B Characteristic peptide segment of soman poisoning and identification method of soman poisoning 中国人民解放军61699部队 2024-04-19 — — CN claimed
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