SCHEMBL13068655

SCHEMBL13068655

CN1C(=O)NC(=O)C12Cc1ccc(NC3=NCNC(C(=O)O)=C3)cc1C2

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.46
MAP2K2 P36507 6/20 0.46
ADM2 Q7Z4H4 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
SCHEMBL13069034 0.87 CALCRL (0.45) CALCRLMAP2K2ADM2
SCHEMBL549050 0.74 KMO (0.48) CALCRLMAP2K2ADM2
SCHEMBL10246263 0.73 CALCRL (0.59) CALCRLMAP2K2ADM2
SCHEMBL12698621 0.71 CALCRL (0.46) CALCRLMAP2K2ADM2
SCHEMBL15401458 0.71 CALCRL (0.46) CALCRLMAP2K2ADM2
SCHEMBL15400764 0.71 CALCRL (0.46) CALCRLMAP2K2ADM2
SCHEMBL3044890 0.70 CALCRL (0.44) CALCRLMAP2K2ADM2
SCHEMBL13053403 0.70 CALCRL (0.68) CALCRLMAP2K2ADM2
SCHEMBL3750981 0.69 CALCRL (0.66) CALCRLMAP2K2
SCHEMBL3634241 0.69 CALCRL (0.66) CALCRLMAP2K2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225227-B1 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
EP-2251339-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
WO-2009065920-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO disclosed
EP-2062889-A1 Compounds Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-27 EP disclosed