SCHEMBL18324587

SCHEMBL18324587

O=C(NC(Cc1ccc[nH]c(=O)[nH]cc1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.73
CYP3A4 P08684 17/20 0.73

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
SCHEMBL18324583 0.89 CALCRL (0.68) CALCRLCYP3A4
SCHEMBL3959778 0.88 CALCRL (0.82) CALCRLCYP3A4
SCHEMBL3593528 0.86 CALCRL (0.76) CALCRLCYP3A4
SCHEMBL3603736 0.86 CALCRL (0.80) CALCRLCYP3A4
SCHEMBL18324582 0.86 CALCRL (0.63) CALCRLCYP3A4
SCHEMBL3956950 0.86 CALCRL (0.77) CALCRLCYP3A4
SCHEMBL3958227 0.86 CALCRL (0.77) CALCRLCYP3A4
SCHEMBL3961468 0.86 CALCRL (0.77) CALCRLCYP3A4
SCHEMBL4174945 0.86 CALCRL (0.77) CALCRLCYP3A4
SCHEMBL3962632 0.86 CALCRL (0.77) CALCRLCYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed