SCHEMBL4593644

SCHEMBL4593644

CN(c1ccccn1)C(CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)[N+]1(C2CCNCC2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.50

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
SCHEMBL4672163 0.86 CALCRL (0.45) CALCRL
SCHEMBL4586137 0.84 CALCRL (0.55) CALCRL
SCHEMBL4586769 0.83 CALCRL (0.51) CALCRL
SCHEMBL3598639 0.83 CALCRL (0.67) CALCRL
SCHEMBL6135930 0.80 CALCRL (0.55) CALCRL
SCHEMBL4585159 0.80 CALCRL (0.70) CALCRL
SCHEMBL4585560 0.79 CALCRL (0.68) CALCRL
SCHEMBL4594168 0.78 CALCRL (0.69) CALCRL
SCHEMBL4585089 0.78 CALCRL (0.57) CALCRL
SCHEMBL4587349 0.77 CALCRL (0.71) CALCRL

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