SCHEMBL4587393

SCHEMBL4587393

NC(CN1CCC(O)CC1)C(=O)[N+]1(C2CCNCC2)CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PADI1 Q9ULC6 1/20 0.31
PADI4 Q9UM07 1/20 0.31

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
SCHEMBL4586127 0.76 PADI1 (0.37) PADI1PADI4
SCHEMBL2170647 0.69 EPHX1 (0.37)
Hydrochloric Acid SCHEMBL5058258 0.67 EPHX1 (0.36)
SCHEMBL6223365 0.67 ALDH1A1 (0.32)
SCHEMBL6860747 0.66 GABRA5 (0.40)
SCHEMBL3592099 0.62 DPP8 (0.47)
SCHEMBL5648979 0.61 GBA1 (0.50)
SCHEMBL7501509 0.60 CHRM2 (0.40)
SCHEMBL939405 0.59 CHRM5 (0.41) PADI1PADI4
SCHEMBL26912060 0.59 CHRM5 (0.41) PADI1PADI4

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