SCHEMBL846226

SCHEMBL846226

CNc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.51
RAMP1 O60894 15/20 0.51
RAMP3 O60896 1/20 0.51
CALCR P30988 1/20 0.51

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
SCHEMBL17881437 1.00 CALCRL (0.51) CALCRLRAMP1RAMP3CALCR
SCHEMBL260489 0.86 ADM2 (0.55) CALCRL
SCHEMBL17881601 0.86 ADM2 (0.55) CALCRL
SCHEMBL1818060 0.86 ADM2 (0.55) CALCRL
SCHEMBL3706135 0.86 CALCRL (0.56) CALCRLRAMP1RAMP3CALCR
SCHEMBL22110811 0.85 CALCRL (0.51) CALCRLRAMP1
SCHEMBL978566 0.82 CALCRL (0.50) CALCRLRAMP1
SCHEMBL977185 0.82 CALCRL (0.50) CALCRLRAMP1
SCHEMBL838209 0.82 CALCRL (0.50) CALCRLRAMP1
SCHEMBL31126001 0.82 CALCRL (0.50) CALCRLRAMP1

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-8143266-B2 Aryl heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp (US) 2012-03-27 US disclosed