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SCHEMBL4601498

SCHEMBL4601498

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(Cn1ccc(OCc2ccccc2)cc1=O)C(=O)[N+]1(C2CCNCC2)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 18/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ KCNH2 Q12809 3/20 0.37

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
SCHEMBL3587238 0.78 MAPK14 (0.49) MCHR1MAPK14KCNH2
SCHEMBL3602692 0.77 MCHR1 (0.42) MCHR1MAPK14KCNH2
SCHEMBL13080920 0.72 MCHR1 (0.40) MCHR1MAPK14KCNH2
SCHEMBL4585147 0.72 — —
SCHEMBL4585961 0.71 CALCRL (0.47) —
SCHEMBL3587241 0.71 MAPK14 (0.47) MCHR1MAPK14KCNH2
SCHEMBL7641512 0.68 MAPK14 (0.62) MCHR1MAPK14
SCHEMBL6134673 0.66 MAPK14 (0.41) MCHR1MAPK14KCNH2
SCHEMBL4488171 0.66 HTR6 (0.50) MCHR1MAPK14
SCHEMBL1365787 0.65 MCHR1 (0.71) MCHR1MAPK14KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689493-A4 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-04-23 — — EP disclosed
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 — — EP disclosed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 — — WO disclosed