SCHEMBL25600413

SCHEMBL25600413

Cc1noc2c3c(ccc12)CCN(C1CCC(C)CC1)C3

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.36
DRD3 P35462 1/20 0.36
HRH3 Q9Y5N1 3/20 0.34
CNR1 P21554 5/20 0.32
KCNH2 Q12809 1/20 0.32
CYP2D6 P10635 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
SCHEMBL25595530 0.87 HRH1 (0.36) HRH1DRD3HRH3CYP2D6
SCHEMBL25600320 0.77 HRH1 (0.45) HRH1DRD3HRH3KCNH2CYP2D6
SCHEMBL25600644 0.76 HRH1 (0.39) HRH1DRD3HRH3
SCHEMBL25595529 0.76 KHK (0.34) HRH1DRD3
SCHEMBL25597203 0.74 DRD3 (0.49) HRH1DRD3CYP2D6
SCHEMBL25597315 0.74 HRH1 (0.39) HRH1DRD3
SCHEMBL25817345 0.70 HRH1 (0.45) HRH1DRD3HRH3
SCHEMBL25823774 0.69 HCRTR1 (0.35) HRH1DRD3
SCHEMBL25595351 0.69 HRH1 (0.32) HRH1DRD3
SCHEMBL25602212 0.69 HRH1 (0.40) HRH1DRD3

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-2023088406-A1 FUSED IMIDE DERIVATIVE 正大天晴药业集团股份有限公司 2023-05-25 WO disclosed