SCHEMBL4587349

SCHEMBL4587349

O=C(CC(Nc1cc(Cl)ncn1)C(=O)[N+]1(C2CCNCC2)CCCCC1)N1CCC(N2Cc3ccccc3NC2=O)CC1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.71

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
SCHEMBL4585159 0.89 CALCRL (0.70) CALCRL
SCHEMBL6135930 0.84 CALCRL (0.55) CALCRL
SCHEMBL3598767 0.83 CALCRL (1.00) CALCRL
SCHEMBL13052659 0.83 CALCRL (1.00) CALCRL
SCHEMBL4594334 0.83 CALCRL (0.64) CALCRL
SCHEMBL4585089 0.82 CALCRL (0.57) CALCRL
SCHEMBL4585560 0.82 CALCRL (0.68) CALCRL
SCHEMBL4594168 0.81 CALCRL (0.69) CALCRL
SCHEMBL6135609 0.81 CALCRL (0.71) CALCRL
SCHEMBL4585177 0.81 CALCRL (0.59) 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