SCHEMBL3048932

SCHEMBL3048932

O=C(O)Oc1cnccc1Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADM2 Q7Z4H4 10/20 0.47
CALCRL Q16602 10/20 0.47
CALCB P10092 9/20 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
SCHEMBL550101 0.86 ADM2 (0.51) ADM2CALCRLCALCB
SCHEMBL17023199 0.81 ADM2 (0.50) ADM2CALCRLCALCB
SCHEMBL3036260 0.79 ADM2 (0.48) ADM2CALCRLCALCB
Hydrochloric Acid SCHEMBL3045318 0.79 ADM2 (0.47) ADM2CALCRLCALCB
SCHEMBL549078 0.76 ADM2 (0.52) ADM2CALCRLCALCB
SCHEMBL550276 0.75 ADM2 (0.51) ADM2CALCRLCALCB
SCHEMBL10246286 0.74 ADM2 (0.61) ADM2CALCRLCALCB
SCHEMBL31039432 0.74 ADM2 (0.61) ADM2CALCRLCALCB
SCHEMBL3036259 0.74 ADM2 (0.50) ADM2CALCRLCALCB
SCHEMBL12414790 0.74 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-2251339-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed