SCHEMBL4609024

SCHEMBL4609024

NC(=O)C1CCN(C(=O)N[C@H](Cc2cc(Br)c(N)c(Br)c2)C(=O)C2CN(c3ccncc3)CCN2)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.43
RAMP1 O60894 10/20 0.43
CALCA P06881 1/20 0.41
CYP3A4 P08684 1/20 0.34

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
SCHEMBL3959797 0.83 CALCRL (0.55) CALCRLRAMP1CALCA
SCHEMBL3965370 0.77 CALCRL (0.61) CALCRLRAMP1CALCACYP3A4
SCHEMBL3960149 0.70 CALCRL (0.57) CALCRLRAMP1CALCA
SCHEMBL3960855 0.70 CALCRL (0.75) CALCRLRAMP1CALCA
SCHEMBL3960850 0.70 CALCRL (0.54) CALCRLRAMP1CALCACYP3A4
SCHEMBL3967290 0.69 CALCRL (0.60) CALCRLRAMP1CALCA
SCHEMBL3967296 0.69 CALCRL (0.55) CALCRLRAMP1CALCA
SCHEMBL3965048 0.69 CALCRL (0.55) CALCRLRAMP1CALCA
SCHEMBL3960731 0.69 CALCRL (0.53) CALCRLRAMP1CALCACYP3A4
SCHEMBL3963807 0.69 CALCRL (0.65) CALCRLRAMP1CALCA

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-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP claimed