SCHEMBL17506461

SCHEMBL17506461

O=C(O)N1CCC(N2CCc3c(Br)cccc3NC2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 16/20 0.39
▸ RAMP1 O60894 5/20 0.39
▸ CALCA P06881 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ L3MBTL3 Q96JM7 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ABHD6 Q9BV23 1/20 0.35

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
SCHEMBL17525093 0.84 UCHL1 (0.46) CALCRL
SCHEMBL17506488 0.84 CALCRL (0.38) CALCRLRAMP1CHRM4
SCHEMBL2087424 0.80 CALCRL (0.55) CALCRLRAMP1CHRM4
SCHEMBL4226700 0.76 CALCRL (0.44) CALCRLRAMP1CHRM4
SCHEMBL2103739 0.74 CALCRL (0.58) CALCRLRAMP1CHRM4
SCHEMBL30231301 0.74 CALCRL (0.58) CALCRLRAMP1CHRM4
SCHEMBL27689313 0.73 CDA (0.38) CALCRLRAMP1CHRM4L3MBTL3L3MBTL1
SCHEMBL13806416 0.71 CALCRL (0.41) CALCRLRAMP1CHRM4
SCHEMBL13655717 0.69 CALCRL (0.52) CALCRLRAMP1
SCHEMBL29872287 0.69 CALCRL (0.52) CALCRLRAMP1CHRM4

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
WO-2016022644-A1 HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-02-11 — — WO disclosed
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