SCHEMBL21919552

SCHEMBL21919552

C[C@H]1NC(=O)C(NC(=O)OCc2ccccc2)C[C@H]1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 11/20 0.54
ASAH1 Q13510 3/20 0.47
KDM1A O60341 2/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
CTSL P07711 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46

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
SCHEMBL17758594 0.84 NAAA (0.59) NAAAASAH1CTSL
SCHEMBL3709136 0.81 SMN1; SMN2 (0.44)
SCHEMBL16652791 0.81 SMN1; SMN2 (0.44)
SCHEMBL14771817 0.81 KDM1A (0.52) KDM1AMAOAMAOB
SCHEMBL4567295 0.81 KDM1A (0.52) KDM1AMAOAMAOB
SCHEMBL14771724 0.81 KDM1A (0.52) KDM1AMAOAMAOB
SCHEMBL14771818 0.81 KDM1A (0.52) KDM1AMAOAMAOB
SCHEMBL16253593 0.81 KDM1A (0.52) KDM1AMAOAMAOB
SCHEMBL15280573 0.81 KDM1A (0.52) KDM1AMAOAMAOB
SCHEMBL16253592 0.81 KDM1A (0.52) KDM1AMAOAMAOB

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-2849568-B1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2020-04-15 EP disclosed