SCHEMBL18873459

SCHEMBL18873459

CC1C=Cc2sccc2CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.35
DRD3 P35462 4/20 0.35
GRIN2B Q13224 6/20 0.33
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
PNMT P11086 1/20 0.31

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
SCHEMBL22782153 0.68 PNMT (0.33) PNMT
SCHEMBL13770917 0.65
SCHEMBL13074350 0.65 TAAR1 (0.32) PNMT
SCHEMBL8431968 0.64 DRD2 (0.51) DRD2DRD3GRIN2BPNMT
SCHEMBL23018015 0.62 NOS3 (0.41) NOS3NOS2
SCHEMBL15871033 0.61 PNMT (0.33) DRD2DRD3PNMT
SCHEMBL14725560 0.61
SCHEMBL8260730 0.60 TAAR1 (0.37) DRD2DRD3
SCHEMBL13117921 0.60 TAAR1 (0.37) DRD2DRD3
SCHEMBL2703916 0.60

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-2017079867-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-05-18 WO disclosed