SCHEMBL21605445

SCHEMBL21605445

N#CC1=C(N)CC2=C1CNCC2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
PNMT P11086 2/20 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
SCHEMBL7332695 0.66
SCHEMBL23706719 0.59
SCHEMBL17000125 0.58
SCHEMBL20014956 0.58
SCHEMBL9901129 0.57 CD44 (0.32) DRD2DRD3PNMT
SCHEMBL1970376 0.56 PNMT (0.36) DRD2DRD3PNMT
SCHEMBL22488571 0.55
SCHEMBL22908212 0.55
SCHEMBL7514481 0.55
SCHEMBL2115873 0.55

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-2019244047-A1 N-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2019-12-26 WO disclosed