SCHEMBL6605713

SCHEMBL6605713

N[C@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 17/20 0.57
RAMP1 O60894 6/20 0.57
TGM2 P21980 3/20 0.54
CALCA P06881 1/20 0.49

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
SCHEMBL3957211 1.00 CALCRL (0.57) CALCRLRAMP1TGM2CALCA
SCHEMBL6679177 1.00 CALCRL (0.57) CALCRLRAMP1TGM2CALCA
SCHEMBL6679174 1.00 CALCRL (0.57) CALCRLRAMP1TGM2CALCA
SCHEMBL3968073 0.88 CALCRL (0.59) CALCRLRAMP1TGM2CALCA
SCHEMBL3962019 0.87 CALCRL (0.57) CALCRLRAMP1TGM2CALCA
SCHEMBL3960049 0.84 CALCRL (0.72) CALCRLRAMP1TGM2CALCA
SCHEMBL3960060 0.84 CALCRL (0.72) CALCRLRAMP1TGM2CALCA
SCHEMBL3960189 0.84 CALCRL (0.81) CALCRLRAMP1TGM2CALCA
SCHEMBL3958032 0.82 DPP8 (0.67) TGM2
SCHEMBL3962424 0.82 CALCRL (0.72) CALCRLRAMP1TGM2CALCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed