SCHEMBL3040503

SCHEMBL3040503

CCOC(=O)Oc1cc(Nc2ccc3c(c2)CC2(C3)C(=O)NC(=O)N2C)ncn1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.44

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
SCHEMBL3044890 0.90 CALCRL (0.44) CALCRL
SCHEMBL549088 0.87 CALCRL (0.44) CALCRL
SCHEMBL549050 0.81 KMO (0.48) CALCRL
SCHEMBL3040463 0.79 ADM2 (0.48) CALCRL
SCHEMBL13069034 0.73 CALCRL (0.45) CALCRL
SCHEMBL549250 0.72 CALCRL (0.43) CALCRL
SCHEMBL10246263 0.72 CALCRL (0.59) CALCRL
SCHEMBL3750981 0.69 CALCRL (0.66) CALCRL
SCHEMBL3634241 0.69 CALCRL (0.66) CALCRL
SCHEMBL3633375 0.68 CALCRL (0.62) CALCRL

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 3 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
EP-2062889-A1 Compounds Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-27 EP disclosed