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SCHEMBL18116803

SCHEMBL18116803

C#CCN(CC(=O)N(CCOC)CC(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(N)=O)C(=O)CN(CCC)C(=O)CN(CC=C)C(=O)CN(CCOC)C(=O)CN(CC)C(C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 1/20 0.37
▸ CCKBR P32239 8/20 0.36
▸ APC P25054 3/20 0.35
▸ CRHR1 P34998 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ GRPR P30550 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ APLNR P35414 1/20 0.33

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
SCHEMBL21386021 0.85 APC (0.34) CCKARCCKBRAPC
SCHEMBL21386007 0.78 CCKAR (0.38) CCKARCCKBRAPCCRHR1CRHR2
SCHEMBL16455562 0.78 MC4R (0.54) GRPRAPLNR
SCHEMBL18116805 0.77 MC4R (0.53) APLNR
SCHEMBL16455573 0.77 CCKAR (0.37) CCKARCCKBRAPCCRHR1CRHR2
SCHEMBL16455365 0.76 FURIN (0.34) —
SCHEMBL16455565 0.74 GLP1R (0.41) APLNR
SCHEMBL18388911 0.73 MC4R (0.59) APLNR
SCHEMBL16455371 0.70 CDYL2 (0.34) —
SCHEMBL3511477 0.69 BACE1 (0.44) CCKARCCKBRAPC

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-9458449-B2 Hybrid polymers, pharmaceutical compositions and methods of synthesizing the same NEW YORK UNIVERSITY (US) 2016-10-04 — — US disclosed
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