SCHEMBL4585555

SCHEMBL4585555

Cc1nc(NC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)[N+]2(C3CCNCC3)CCCCC2)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.73

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
SCHEMBL4585177 0.91 CALCRL (0.59) CALCRL
SCHEMBL13052665 0.84 CALCRL (1.00) CALCRL
SCHEMBL3596727 0.84 CALCRL (1.00) CALCRL
SCHEMBL30285479 0.84 CALCRL (1.00) CALCRL
SCHEMBL6135930 0.82 CALCRL (0.55) CALCRL
SCHEMBL4585159 0.82 CALCRL (0.70) CALCRL
SCHEMBL4594334 0.81 CALCRL (0.64) CALCRL
SCHEMBL4586769 0.80 CALCRL (0.51) CALCRL
SCHEMBL4587349 0.79 CALCRL (0.71) CALCRL
SCHEMBL4585560 0.79 CALCRL (0.68) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539766-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-06-15 EP claimed
WO-2003104236-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 WO claimed
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
EP-1539766-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-06-15 EP disclosed
WO-2003104236-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 WO disclosed