SCHEMBL7326229

SCHEMBL7326229

CCCCNC1CCc2c(N)cccc2C1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.72
DRD3 P35462 10/20 0.72
DRD4 P21917 4/20 0.60
HTR1D P28221 2/20 0.48
GRIN2B Q13224 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTR1B P28222 1/20 0.42

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
Hydrochloric Acid SCHEMBL7333838 0.99 DRD2 (0.70) DRD2DRD3DRD4HTR1DGRIN2B
SCHEMBL14847040 0.92 DRD2 (0.71) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL7327300 0.92 DRD2 (0.71) DRD2DRD3DRD4HTR1DHTR1B
Hydrochloric Acid SCHEMBL7327372 0.90 DRD2 (0.69) DRD2DRD3DRD4HTR1DHTR1B
Hydrochloric Acid SCHEMBL7334497 0.90 DRD2 (0.69) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL7332696 0.86 DRD2 (0.66) DRD2DRD3DRD4HTR1DGRIN2B
Hydrochloric Acid SCHEMBL7333877 0.85 DRD2 (0.64) DRD2DRD3DRD4HTR1DGRIN2B
SCHEMBL7325905 0.83 GRIN2B (0.70) DRD2DRD3GRIN2BSIGMAR1
SCHEMBL7328248 0.82 GRIN2B (0.70) DRD2DRD3GRIN2BSIGMAR1
Hydrochloric Acid SCHEMBL7336883 0.82 GRIN2B (0.68) DRD2DRD3GRIN2BSIGMAR1

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