SCHEMBL29699237

SCHEMBL29699237

CCN1CCC[C@H]1CNC(=O)c1nc(Br)c(C(F)(F)F)nc1N

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
HSD17B10 Q99714 1/20 0.46
DRD3 P35462 1/20 0.45

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
SCHEMBL2372239 1.00 DRD2 (0.46) DRD2HSD17B10DRD3
SCHEMBL2372244 1.00 DRD2 (0.46) DRD2HSD17B10DRD3
Trifluoroacetic Acid SCHEMBL2073793 0.80 DRD2 (0.46) DRD2HSD17B10DRD3
SCHEMBL2075262 0.79 DRD2 (0.50) DRD2HSD17B10DRD3
SCHEMBL11773840 0.79 DRD2 (0.53) DRD2DRD3
SCHEMBL29699382 0.73 ADRB1 (0.36)
SCHEMBL2372856 0.73 ADRB1 (0.36)
SCHEMBL2372852 0.73 ADRB1 (0.36)
SCHEMBL14784270 0.71 CFTR (0.42)
SCHEMBL11732086 0.71 DRD2 (0.53) DRD2HSD17B10DRD3

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-3980121-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF, COPD, AND BRONCHIECTASIS Novartis AG (CH) 2022-04-13 EP disclosed