SCHEMBL4608828

SCHEMBL4608828

N[C@@H](CCCCNC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.79
RAMP1 O60894 10/20 0.60
CALCA P06881 1/20 0.56

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
SCHEMBL3962596 0.88 CALCRL (0.82) CALCRLRAMP1CALCA
SCHEMBL3960179 0.88 CALCRL (1.00) CALCRLRAMP1CALCA
SCHEMBL5165965 0.87 CALCRL (0.78) CALCRLRAMP1CALCA
SCHEMBL3959483 0.84 CALCRL (0.76) CALCRLRAMP1CALCA
SCHEMBL3956808 0.84 CALCRL (0.92) CALCRLRAMP1CALCA
SCHEMBL3964663 0.82 CALCRL (0.73) CALCRLRAMP1CALCA
SCHEMBL3960539 0.81 CALCRL (0.71) CALCRLRAMP1CALCA
SCHEMBL3960339 0.81 CALCRL (0.85) CALCRLRAMP1CALCA
SCHEMBL6686441 0.81 CALCRL (0.85) CALCRLRAMP1CALCA
SCHEMBL3960165 0.80 CALCRL (0.70) 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