SCHEMBL16976068

SCHEMBL16976068

CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.59
▸ GLP1R P43220 3/20 0.55
▸ SCTR P47872 1/20 0.55
▸ NR3C1 P04150 2/20 0.54
▸ NPY5R Q15761 4/20 0.54
▸ NPY4R P50391 4/20 0.54
▸ NPY1R P25929 3/20 0.54
▸ KISS1R Q969F8 4/20 0.53
▸ VIPR1 P32241 2/20 0.52
▸ NPY2R P49146 3/20 0.52
▸ GHSR Q92847 2/20 0.52
▸ GCGR P47871 1/20 0.52
▸ GIPR P48546 1/20 0.52
▸ VIPR2 P41587 1/20 0.52

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
SCHEMBL14479450 1.00 TFPI (0.59) TFPIGLP1RSCTRNR3C1NPY5R
SCHEMBL14479435 0.97 TFPI (0.58) TFPIGLP1RSCTRNR3C1NPY5R
SCHEMBL14479397 0.94 NPY5R (0.55) TFPIGLP1RSCTRNPY5RNPY4R
SCHEMBL16976060 0.94 IL23R (0.58) TFPIGLP1RSCTRNR3C1NPY5R
SCHEMBL16976057 0.94 IL23R (0.58) TFPIGLP1RSCTRNR3C1NPY5R
SCHEMBL16976086 0.94 IL23R (0.58) TFPIGLP1RSCTRNR3C1NPY5R
SCHEMBL14479441 0.94 GLP1R (0.54) TFPIGLP1RSCTRNR3C1NPY5R
SCHEMBL16976131 0.93 IL23R (0.57) TFPIGLP1RNPY5RNPY4RNPY1R
SCHEMBL14479338 0.92 GLP1R (0.53) TFPIGLP1RSCTRNPY5RNPY4R
SCHEMBL15185894 0.92 GLP1R (0.61) GLP1RSCTRNPY5RNPY4RNPY1R

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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