SCHEMBL4593640

SCHEMBL4593640

O=CCCC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.58
RAMP1 O60894 3/20 0.53

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
SCHEMBL30231219 1.00 CALCRL (0.58) CALCRLRAMP1
SCHEMBL5779968 0.90 CALCRL (0.51) CALCRLRAMP1
SCHEMBL6220314 0.89 CALCRL (0.60) CALCRLRAMP1
SCHEMBL17870757 0.85 CALCRL (0.63) CALCRLRAMP1
SCHEMBL12655359 0.84 CALCRL (0.62) CALCRLRAMP1
SCHEMBL13283739 0.83 CALCRL (0.67) CALCRLRAMP1
SCHEMBL27626881 0.83 CALCRL (0.61) CALCRLRAMP1
SCHEMBL14401078 0.83 CALCRL (0.58) CALCRL
SCHEMBL14044426 0.83 CALCRL (0.56) CALCRLRAMP1
SCHEMBL2103739 0.81 CALCRL (0.58) CALCRLRAMP1

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 claimed
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 EP claimed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO claimed