SCHEMBL4586769

SCHEMBL4586769

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

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.51
RAMP1 O60894 1/20 0.46

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
SCHEMBL6135930 0.87 CALCRL (0.55) CALCRL
SCHEMBL4585560 0.85 CALCRL (0.68) CALCRL
SCHEMBL4585177 0.83 CALCRL (0.59) CALCRL
SCHEMBL4594168 0.83 CALCRL (0.69) CALCRLRAMP1
SCHEMBL4593644 0.83 CALCRL (0.50) CALCRL
SCHEMBL4672163 0.82 CALCRL (0.45) CALCRL
SCHEMBL4594152 0.82 CALCRL (0.57) CALCRL
SCHEMBL4585159 0.82 CALCRL (0.70) CALCRL
SCHEMBL4720735 0.81 CALCRL (0.55) CALCRL
SCHEMBL4585089 0.81 CALCRL (0.57) 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 5 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
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