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SCHEMBL92822

SCHEMBL92822

CC(NC(=O)C(CC(=O)O)NC(=O)C(CCCN)NC(=O)CNC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(N)Cc1c[nH]c2ccccc12)C(C)O)C(=O)NC(CC(=O)NCC(=O)NC(CO)C(=O)NC(C(=O)NC(CC(=O)c1ccccc1N)C(=O)O)C(C)CC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.55
▸ ERBB2 P04626 1/20 0.51
▸ GLP1R P43220 12/20 0.50
▸ NPBWR1 P48145 3/20 0.49
▸ ECE1 P42892 1/20 0.48
▸ MUS81 Q96NY9 1/20 0.48
▸ CXCR4 P61073 1/20 0.47
▸ OPRL1 P41146 1/20 0.46
▸ NR3C1 P04150 1/20 0.46
▸ CCKBR P32239 1/20 0.46

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
SCHEMBL12124805 0.92 GLP1R (0.53) PRMT1ERBB2GLP1RECE1MUS81
SCHEMBL24625800 0.90 GLP1R (0.56) PRMT1ERBB2GLP1RECE1MUS81
SCHEMBL8230353 0.90 GLP1R (0.56) PRMT1ERBB2GLP1RECE1MUS81
SCHEMBL26236645 0.82 GLP1R (0.46) GLP1RECE1MUS81CXCR4CCKBR
SCHEMBL30116700 0.82 PRMT1 (0.61) PRMT1GLP1RNPBWR1CXCR4NR3C1
SCHEMBL29679523 0.81 GLP1R (0.69) GLP1RECE1MUS81CCKBR
SCHEMBL31753881 0.81 PRMT1 (0.59) PRMT1NPBWR1
SCHEMBL21250581 0.80 IL23R (0.47) ERBB2GLP1R
SCHEMBL30429128 0.80 GLP1R (0.66) GLP1RECE1MUS81CCKBR
SCHEMBL29679760 0.80 GLP1R (0.65) GLP1RECE1MUS81CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129342-B2 High purity lipopeptides CUBIST PHARMACEUTICALS, INC. (US) 2012-03-06 — — US disclosed
US-20110207658-A1 High Purity Lipopeptides CUBIST PHARMACEUTICALS LLC (CH) 2011-08-25 — — US disclosed