SCHEMBL25792279

SCHEMBL25792279

CN1CCC[C@@H](c2ccc(N)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KCNH2 Q12809 1/20 0.54
LSS P48449 3/20 0.54
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
SLC18A3 Q16572 1/20 0.44
PARP1 P09874 1/20 0.44
PARP2 Q9UGN5 1/20 0.44

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
SCHEMBL159409 1.00 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2LSS
SCHEMBL14320804 0.89 SLC18A3 (0.46) SLC6A2SLC6A4SLC6A3KCNH2LSS
SCHEMBL23469162 0.84 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2LSS
SCHEMBL12950820 0.84 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2LSS
SCHEMBL12925934 0.83 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2LSS
SCHEMBL4893089 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KCNH2LSS
SCHEMBL24310166 0.82 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2LSS
SCHEMBL24394469 0.82 KCNH2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2LSS
SCHEMBL2077734 0.82 KCNH2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2LSS
SCHEMBL24394470 0.82 KCNH2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2LSS

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
EP-3668857-B1 PROCESSES FOR THE PREPARATION OF NIRAPARIB AND INTERMEDIATES THEREOF TEVA PHARMACEUTICALS INT GMBH (CH) 2023-07-05 EP disclosed