SCHEMBL24640243

SCHEMBL24640243

CC(C)N1CCN2c3ncc(C(F)(F)F)cc3SCC[C@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
HRH3 Q9Y5N1 3/20 0.36
ACACB O00763 2/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
OGA O60502 3/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
CXCR3 P49682 3/20 0.33
TIPARP Q7Z3E1 2/20 0.33
PARP2 Q9UGN5 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL24640193 1.00 POLB (0.38) POLBHRH3ACACBNR1H2NR1H3
SCHEMBL24640184 1.00 POLB (0.38) POLBHRH3ACACBNR1H2NR1H3
SCHEMBL24640240 0.88 HRH3 (0.36) POLBHRH3ACACBNR1H2NR1H3
SCHEMBL24640200 0.88 HRH3 (0.36) POLBHRH3ACACBNR1H2NR1H3
SCHEMBL24640203 0.84 HRH3 (0.33) HRH3ACACB
SCHEMBL24640241 0.84 HRH3 (0.35) HRH3
SCHEMBL24640705 0.84 HRH3 (0.35) HRH3
SCHEMBL24640699 0.84 HRH3 (0.33) HRH3ACACB
SCHEMBL24640183 0.81 HRH3 (0.36) HRH3ACACBNR1H2NR1H3OGA
SCHEMBL24640764 0.81 HRH3 (0.36) HRH3ACACBNR1H2NR1H3OGA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289845-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2023-12-13 EP disclosed
WO-2022170974-A1 TRICYCLIC DERIVATIVES USEFUL AS PARP7 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-08-18 WO disclosed