SCHEMBL24639883

SCHEMBL24639883

CC(C)N1CCN2c3ncc(C(F)(F)F)nc3N(C)C2C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.32
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
GSK3B P49841 1/20 0.30

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
SCHEMBL26958276 0.80 HRH3 (0.33) HRH3
SCHEMBL24640317 0.79 TIPARP (0.33) HRH3NR1H2NR1H3GSK3B
SCHEMBL24639861 0.77 HRH3 (0.36) HRH3NR1H2NR1H3
SCHEMBL31244742 0.75 HTR2C (0.36)
SCHEMBL24639880 0.74 HRH3 (0.31) HRH3
SCHEMBL24640313 0.72 SOS1 (0.36) HRH3
SCHEMBL24639879 0.72 HRH3 (0.31) HRH3
SCHEMBL24639851 0.70 HRH3 (0.36) HRH3NR1H2NR1H3
SCHEMBL24639871 0.68 HRH3 (0.37) HRH3NR1H2NR1H3
SCHEMBL24639833 0.67 NR1H2 (0.37) HRH3NR1H2NR1H3

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
WO-2022170974-A1 TRICYCLIC DERIVATIVES USEFUL AS PARP7 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-08-18 WO disclosed