SCHEMBL16976056

SCHEMBL16976056

CCCCCCCCCCCCCCCC(=O)N[C@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CCCNC(=N)N

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.58
▸ NPY5R Q15761 8/20 0.58
▸ NPY1R P25929 7/20 0.58
▸ NPY2R P49146 5/20 0.58
▸ TLR2 O60603 1/20 0.54
▸ NMT2 O60551 1/20 0.53
▸ NMT1 P30419 1/20 0.53
▸ SIRT6 Q8N6T7 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.47
▸ KISS1R Q969F8 1/20 0.46
▸ SLC6A5 Q9Y345 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
SCHEMBL16976067 1.00 NPY4R (0.58) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL16976059 1.00 NPY4R (0.58) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL16976069 1.00 NPY4R (0.58) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL16976125 1.00 NPY4R (0.58) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL16976058 0.96 NPY4R (0.60) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL16976107 0.95 NPY4R (0.57) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL16976139 0.93 NPY4R (0.58) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL16976101 0.93 NPY4R (0.58) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL16976140 0.93 NPY4R (0.58) NPY4RNPY5RNPY1RNPY2RTLR2
SCHEMBL16976130 0.91 TLR2 (0.54) NPY4RNPY5RNPY1RNPY2RTLR2

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
US-9096646-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-08-04 — — US disclosed
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