SCHEMBL30899722

SCHEMBL30899722

CN1[C@H]2CC[C@]1([11C](=O)O[11CH3])CC(c1ccc(F)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.42
SLC6A3 Q01959 11/20 0.41
SLC6A4 P31645 5/20 0.41
SLC6A2 P23975 3/20 0.41
HRH3 Q9Y5N1 1/20 0.36
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL8481404 1.00 OPRK1 (0.42) OPRK1SLC6A3SLC6A4SLC6A2HRH3
SCHEMBL23924861 0.89 SLC6A3 (0.40) SLC6A3SLC6A4SLC6A2
SCHEMBL30198388 0.88 SLC6A4 (0.41) SLC6A3SLC6A4SLC6A2
SCHEMBL3655052 0.88 SLC6A4 (0.41) SLC6A3SLC6A4SLC6A2
SCHEMBL1012742 0.88 MEN1 (0.40) OPRK1SLC6A3SLC6A4SLC6A2
SCHEMBL9405512 0.86 DRD2 (0.38) SLC6A3SLC6A4SLC6A2HRH3CCR2
SCHEMBL9405511 0.86 DRD2 (0.38) SLC6A3SLC6A4SLC6A2HRH3CCR2
SCHEMBL5971900 0.85 CCR2 (0.39) SLC6A3SLC6A4SLC6A2CCR2KCNH2
SCHEMBL3422811 0.85 CCR2 (0.39) SLC6A3SLC6A4SLC6A2CCR2KCNH2
SCHEMBL3421132 0.83 DRD2 (0.38) SLC6A3SLC6A4SLC6A2CCR2KCNH2

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
US-20240159780-A1 PREDICTION OF AMOUNT OF IN VIVO DOPAMINE ETC., AND APPLICATION THEREOF Sumitomo Pharma Co., Ltd. (JP) 2024-05-16 US disclosed