SCHEMBL5168399

SCHEMBL5168399

CN1C2CCC1CC(N1CCN(C(=O)[C@@H](Cc3cc(Br)c(N)cc3Br)NC(=O)N3CCC(n4cc(-c5cccc(Br)c5)[nH]c4=O)CC3)CC1)C2

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 18/20 0.44
CYP3A4 P08684 9/20 0.41
CALCA P06881 2/20 0.39
RAMP1 O60894 2/20 0.38

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
SCHEMBL3965151 0.90 CALCRL (0.51) CALCRLCYP3A4CALCARAMP1
SCHEMBL3960327 0.83 CALCRL (0.49) CALCRLCYP3A4CALCARAMP1
SCHEMBL4069296 0.81 CALCRL (0.48) CALCRLCYP3A4CALCARAMP1
SCHEMBL4144263 0.78 CALCRL (0.51) CALCRLCYP3A4CALCARAMP1
SCHEMBL3962029 0.76 CALCRL (0.58) CALCRLCYP3A4CALCARAMP1
SCHEMBL3964340 0.76 CALCRL (0.57) CALCRLCYP3A4CALCARAMP1
SCHEMBL4174931 0.75 CALCRL (0.59) CALCRLCYP3A4CALCARAMP1
SCHEMBL3960870 0.75 CALCRL (0.49) CALCRLCYP3A4CALCARAMP1
SCHEMBL3962599 0.75 CALCRL (0.62) CALCRLCYP3A4CALCARAMP1
SCHEMBL3959638 0.75 CALCRL (0.62) CALCRLCYP3A4CALCARAMP1

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-1517674-B1 PREPARATIONS FOR THE INTRANASAL APPLICATION OF SELECTED CGRP ANTAGONISTS DERIVED FROM AMINO ACIDS AND A METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2007-04-11 EP claimed