SCHEMBL24640762

SCHEMBL24640762

CC(C)N1CCN2c3ncc(C(F)(F)F)cc3N(C)CC[C@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
ACACB O00763 2/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
OGA O60502 1/20 0.34
TIPARP Q7Z3E1 5/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
CXCR3 P49682 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL24640764 1.00 HRH3 (0.36) HRH3ACACBLMNASMN1; SMN2NR1H2
SCHEMBL24640183 1.00 HRH3 (0.36) HRH3ACACBLMNASMN1; SMN2NR1H2
SCHEMBL26958078 0.91 CHRM2 (0.37) HRH3ACACBLMNASMN1; SMN2NR1H2
SCHEMBL24640155 0.91 CHRM2 (0.37) HRH3ACACBLMNASMN1; SMN2NR1H2
SCHEMBL26958155 0.87 LMNA (0.42) HRH3LMNASMN1; SMN2NR1H2NR1H3
SCHEMBL24640020 0.82 TIPARP (0.38) HRH3ACACBLMNASMN1; SMN2NR1H2
SCHEMBL24640052 0.82 TIPARP (0.38) HRH3ACACBLMNASMN1; SMN2NR1H2
SCHEMBL24640039 0.82 TIPARP (0.38) HRH3ACACBLMNASMN1; SMN2NR1H2
SCHEMBL24640193 0.81 POLB (0.38) HRH3ACACBLMNASMN1; SMN2NR1H2
SCHEMBL24640243 0.81 POLB (0.38) HRH3ACACBLMNASMN1; SMN2NR1H2

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