SCHEMBL30930537

SCHEMBL30930537

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.47
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44
▸ GRIN3A Q8TCU5 1/20 0.44
▸ GLP1R P43220 3/20 0.42
▸ GCGR P47871 1/20 0.42
▸ GIPR P48546 1/20 0.42
▸ VIPR1 P32241 1/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ PTH1R Q03431 2/20 0.39
▸ ECE1 P42892 1/20 0.39
▸ MUS81 Q96NY9 1/20 0.39
▸ NMT2 O60551 1/20 0.38
▸ NMT1 P30419 1/20 0.38
▸ IL23R Q5VWK5 1/20 0.38

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
SCHEMBL31665989 0.91 TFPI (0.49) TFPIGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31665959 0.89 NMT2 (0.41) TFPINMT2NMT1NPY1RNPY2R
SCHEMBL30432333 0.89 TFPI (0.58) TFPIGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29630561 0.87 NMT1 (0.43) NMT2NMT1NPY1RNPY2RNPY4R
SCHEMBL30974313 0.87 NMT1 (0.43) NMT2NMT1NPY1RNPY2RNPY4R
SCHEMBL29777440 0.86 GNPAT (0.44) NMT2NMT1NPY1RNPY2RNPY4R
SCHEMBL23273242 0.86 TFPI (0.44) TFPIGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30432294 0.86 TFPI (0.53) TFPIRXFP1PTH1RNMT2NMT1
SCHEMBL31665996 0.86 NPY4R (0.45) TFPINPY1RNPY2RNPY4RNPY5R
SCHEMBL31064825 0.85 NPY4R (0.43) TFPIRXFP1NMT2NMT1NPY1R

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-112029766-B Application of double-stranded RNA 江苏仁明生物科技有限公司 2024-06-18 — — CN disclosed
Send feedback