SCHEMBL4593572

SCHEMBL4593572

NC(=O)n1c(=O)[nH]c2ccc(C[CH]C(=O)[N+]3(C4CCNCC4)CCCCC3)cc21

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.30
HTR4 Q13639 1/20 0.30

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
SCHEMBL6135661 0.79 SLC6A2 (0.38)
SCHEMBL4616261 0.75 PARP2 (0.32)
SCHEMBL4593488 0.72
SCHEMBL6800821 0.72 CALCRL (0.42)
SCHEMBL4585952 0.69
SCHEMBL4593121 0.67 PLK4 (0.35)
SCHEMBL6135611 0.66
SCHEMBL4594181 0.66
SCHEMBL4586225 0.64
SCHEMBL4593642 0.64 JAK2 (0.30)

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