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SCHEMBL10157514

SCHEMBL10157514

CCCCCCCC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NCC(=O)NC(CCCN)C(=O)O)C(C)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 9/20 0.54
▸ CCKAR P32238 7/20 0.54
▸ OPRD1 P41143 1/20 0.54
▸ PCSK9 Q8NBP7 2/20 0.53
▸ PRMT1 Q99873 1/20 0.51
▸ IL23R Q5VWK5 4/20 0.50
▸ ERBB2 P04626 1/20 0.50
▸ KISS1R Q969F8 2/20 0.49

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
SCHEMBL8227196 0.94 CCKAR (0.56) CCKBRCCKAROPRD1PCSK9ERBB2
SCHEMBL92821 0.91 MMP2 (0.54) CCKBRCCKAROPRD1IL23RERBB2
SCHEMBL14446880 0.88 PRMT1 (0.53) CCKBRCCKAROPRD1PCSK9PRMT1
SCHEMBL8415771 0.88 CCKBR (0.59) CCKBRCCKAROPRD1PCSK9PRMT1
SCHEMBL12124805 0.86 GLP1R (0.53) CCKBRCCKAROPRD1PRMT1ERBB2
SCHEMBL38665217 0.84 PRMT1 (0.63) CCKBRCCKAROPRD1PCSK9PRMT1
SCHEMBL30566944 0.83 IL23R (0.57) CCKBRCCKAROPRD1PRMT1IL23R
SCHEMBL8357061 0.83 ACE (0.60) —
SCHEMBL24625800 0.81 GLP1R (0.56) CCKBRCCKAROPRD1PRMT1ERBB2
SCHEMBL8230353 0.81 GLP1R (0.56) CCKBRCCKAROPRD1PRMT1ERBB2

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