SCHEMBL7331002

SCHEMBL7331002

CCN(CCCc1cccnc1)C1CCc2c(N)cccc2C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.44
DRD3 P35462 8/20 0.44
DRD4 P21917 2/20 0.44
DRD1 P21728 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43

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
SCHEMBL7325082 0.97 DRD2 (0.46) DRD2DRD3DRD4DRD1CYP1A2
SCHEMBL7327483 0.96 DRD2 (0.48) DRD2DRD3DRD4DRD1CYP1A2
SCHEMBL7328480 0.94 DRD2 (0.49) DRD2DRD3DRD4DRD1CYP1A2
SCHEMBL7326822 0.89 DRD2 (0.48) DRD2DRD3DRD4DRD1CYP1A2
SCHEMBL7335055 0.88 GRIN2B (0.48) DRD2DRD3DRD4DRD1CYP1A2
SCHEMBL7334435 0.88 DRD2 (0.47) DRD2DRD3DRD4DRD1CYP1A2
SCHEMBL7327584 0.87 DRD2 (0.55) DRD2DRD3DRD4DRD1CYP1A2
SCHEMBL7330111 0.86 DRD2 (0.48) DRD2DRD3DRD4DRD1CYP1A2
SCHEMBL7327971 0.85 DRD2 (0.50) DRD2DRD3DRD4DRD1CYP1A2
SCHEMBL7329980 0.85 GRIN2B (0.49) DRD2DRD3

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-0402923-A2 2,5-Diaminotetralines, process for their preparation and their use as medicine BOEHRINGER INGELHEIM KG (DE) 1990-12-19 EP disclosed