SCHEMBL14036256

SCHEMBL14036256

CN(C)C(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)OC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCA P06881 1/20 0.63
CALCRL Q16602 19/20 0.62
RAMP1 O60894 2/20 0.62

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
SCHEMBL14036218 0.95 CALCRL (0.59) CALCACALCRLRAMP1
SCHEMBL14036157 0.92 CALCRL (0.57) CALCACALCRLRAMP1
SCHEMBL14036399 0.91 CALCRL (0.74) CALCACALCRLRAMP1
SCHEMBL14036236 0.91 CALCRL (0.62) CALCACALCRLRAMP1
SCHEMBL2165689 0.90 CALCRL (0.63) CALCACALCRLRAMP1
SCHEMBL2165681 0.90 CALCRL (0.63) CALCACALCRLRAMP1
SCHEMBL2167050 0.90 CALCRL (0.63) CALCACALCRLRAMP1
SCHEMBL2167053 0.90 CALCRL (0.63) CALCACALCRLRAMP1
SCHEMBL2165430 0.89 CALCRL (0.67) CALCACALCRLRAMP1
SCHEMBL3106435 0.89 CALCRL (0.67) CALCACALCRLRAMP1

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-1992349-B1 CGRP antagonists, their preparation and use as a medicament BOEHRINGER INGELHEIM INT (DE) 2013-07-31 EP disclosed
EP-1992349-A1 CGRP antagonists, their preparation and use as a medicament Boehringer Ingelheim International GmbH (DE) 2008-11-19 EP disclosed