SCHEMBL17023199

SCHEMBL17023199

O=C(O)Oc1cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)ccn1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADM2 Q7Z4H4 8/20 0.50
CALCRL Q16602 12/20 0.48
CALCB P10092 7/20 0.47
RAMP1 O60894 1/20 0.46
CALCA P06881 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
SCHEMBL3036260 0.88 ADM2 (0.48) ADM2CALCRLCALCB
Hydrochloric Acid SCHEMBL3045318 0.87 ADM2 (0.47) ADM2CALCRLCALCB
SCHEMBL549078 0.85 ADM2 (0.52) ADM2CALCRLCALCBRAMP1CALCA
SCHEMBL3048932 0.81 ADM2 (0.47) ADM2CALCRLCALCB
SCHEMBL550276 0.80 ADM2 (0.51) ADM2CALCRLCALCBRAMP1CALCA
SCHEMBL3040463 0.78 ADM2 (0.48) ADM2CALCRLCALCB
SCHEMBL31039432 0.77 ADM2 (0.61) ADM2CALCRLCALCB
SCHEMBL10246286 0.77 ADM2 (0.61) ADM2CALCRLCALCB
SCHEMBL3036259 0.77 ADM2 (0.50) ADM2CALCRLCALCB
SCHEMBL12414790 0.77 ADM2 (0.60) ADM2CALCRLCALCB

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-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