SCHEMBL21590161

SCHEMBL21590161

CN1CCCC(c2cc[c]cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.54
DRD3 P35462 2/20 0.54
LSS P48449 3/20 0.50
KCNH2 Q12809 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL1030502 0.89 DRD2 (0.42) DRD2DRD3LSSKCNH2SLC6A2
SCHEMBL1033569 0.89 DRD2 (0.42) DRD2DRD3LSSKCNH2SLC6A2
SCHEMBL1031360 0.89 DRD2 (0.42) DRD2DRD3LSSKCNH2SLC6A2
SCHEMBL13006443 0.81 DRD2 (0.65) DRD2DRD3LSSKCNH2SLC6A2
SCHEMBL2077235 0.81 DRD2 (0.65) DRD2DRD3LSSKCNH2SLC6A2
SCHEMBL11893151 0.81 DRD2 (0.65) DRD2DRD3LSSKCNH2SLC6A2
SCHEMBL23469162 0.80 SLC6A2 (0.55) DRD2DRD3LSSKCNH2SLC6A2
SCHEMBL12950820 0.80 SLC6A2 (0.55) DRD2DRD3LSSKCNH2SLC6A2
SCHEMBL24394469 0.79 KCNH2 (0.54) DRD2DRD3LSSKCNH2SLC6A2
SCHEMBL24310166 0.79 SLC6A2 (0.54) DRD2DRD3LSSKCNH2SLC6A2

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-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed