SCHEMBL14921120

SCHEMBL14921120

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VIPR2 P41587 6/20 0.44
▸ VIPR1 P32241 4/20 0.44
▸ CCNA2 P20248 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ CCNA1 P78396 2/20 0.43
▸ C5AR1 P21730 1/20 0.42
▸ NPY4R P50391 3/20 0.42
▸ NPY1R P25929 2/20 0.42
▸ NPY2R P49146 2/20 0.42
▸ NPY5R Q15761 2/20 0.42
▸ GLP1R P43220 2/20 0.42

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
SCHEMBL31256967 0.95 VIPR2 (0.46) VIPR2VIPR1CCNA2CDK2CCNA1
SCHEMBL9126106 0.93 VIPR2 (0.45) VIPR2VIPR1C5AR1NPY4RNPY1R
SCHEMBL9126093 0.93 VIPR2 (0.45) VIPR2VIPR1C5AR1NPY4RNPY1R
SCHEMBL31643038 0.92 GLP1R (0.42) VIPR2VIPR1CCNA2CDK2CCNA1
SCHEMBL29767364 0.90 GLP1R (0.50) VIPR2VIPR1GLP1R
SCHEMBL16212659 0.89 C5AR1 (0.54) C5AR1
SCHEMBL9444822 0.89 NPY4R (0.46) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL9444799 0.89 NPY4R (0.46) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30423377 0.89 NPY4R (0.46) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31188462 0.89 NPY4R (0.46) C5AR1NPY4RNPY1RNPY2RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109806395-A Medical usage 瓦力雷克斯有限公司 2019-05-28 — — CN disclosed
CN-104136082-B medical use 瓦力雷克斯有限公司 2019-03-08 — — CN disclosed
EP-2773427-A2 MEDICAL USE Valirx Plc. (GB) 2014-09-10 — — EP disclosed
WO-2013064830-A2 MEDICAL USE VALIRX PLC (GB) 2013-05-10 — — WO disclosed
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