SCHEMBL6480065

SCHEMBL6480065

CC(=O)N(Oc1ccc(O)cc1)[C@@H](CC(=O)c1cc(Br)c(N)c(Br)c1)C(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.42
RAMP1 O60894 4/20 0.42
CALCA P06881 1/20 0.39
CYP3A4 P08684 4/20 0.36

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
SCHEMBL6485775 0.94 CALCRL (0.44) CALCRLRAMP1CALCACYP3A4
SCHEMBL6489464 0.92 CALCRL (0.40) CALCRLRAMP1CALCACYP3A4
SCHEMBL6479925 0.87 CALCRL (0.45) CALCRLRAMP1CALCACYP3A4
SCHEMBL6479928 0.87 CALCRL (0.45) CALCRLRAMP1CALCACYP3A4
SCHEMBL6478959 0.83 CALCRL (0.43) CALCRLRAMP1CALCACYP3A4
SCHEMBL6478124 0.82 CALCRL (0.43) CALCRLRAMP1CALCACYP3A4
SCHEMBL6478127 0.82 CALCRL (0.43) CALCRLRAMP1CALCACYP3A4
SCHEMBL6489023 0.82 CALCRL (0.44) CALCRLRAMP1CALCA
SCHEMBL6480236 0.81 CALCRL (0.47) CALCRLRAMP1CALCACYP3A4
SCHEMBL6480231 0.81 CALCRL (0.47) CALCRLRAMP1CALCACYP3A4

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
US-6949541-B2 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-09-27 US claimed