SCHEMBL7328248

SCHEMBL7328248

Nc1cccc2c1CCC(NCCCCc1ccccc1)C2

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 12/20 0.70
SIGMAR1 Q99720 4/20 0.64
GRIN1 Q05586 2/20 0.58
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51

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 SCHEMBL7329715 0.99 GRIN2B (0.69) GRIN2BSIGMAR1GRIN1DRD2DRD3
SCHEMBL7329677 0.99 GRIN2B (0.69) GRIN2BSIGMAR1GRIN1DRD2DRD3
Hydrochloric Acid SCHEMBL7337819 0.98 GRIN2B (0.67) GRIN2BSIGMAR1GRIN1DRD2DRD3
Hydrochloric Acid SCHEMBL7333173 0.98 GRIN2B (0.67) GRIN2BSIGMAR1GRIN1DRD2DRD3
Hydrochloric Acid SCHEMBL7334760 0.98 GRIN2B (0.67) GRIN2BSIGMAR1GRIN1DRD2DRD3
Hydrochloric Acid SCHEMBL7326858 0.98 GRIN2B (0.67) GRIN2BSIGMAR1GRIN1DRD2DRD3
Hydrochloric Acid SCHEMBL7329362 0.98 GRIN2B (0.67) GRIN2BSIGMAR1GRIN1DRD2DRD3
SCHEMBL7325905 0.96 GRIN2B (0.70) GRIN2BSIGMAR1GRIN1DRD2DRD3
Hydrochloric Acid SCHEMBL7336883 0.95 GRIN2B (0.68) GRIN2BSIGMAR1GRIN1DRD2DRD3
SCHEMBL7328462 0.91 GRIN2B (0.68) GRIN2BSIGMAR1GRIN1DRD2DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5196454-A METHOD OF TREATING DISORDERS OF THE DOPAMINERGIC SYSTEMS USING 2,5-DIAMINOTETRALINES BOEHRINGER INGELHEIM KG (DE) 1993-03-23 US claimed
US-5196454-A METHOD OF TREATING DISORDERS OF THE DOPAMINERGIC SYSTEMS USING 2,5-DIAMINOTETRALINES BOEHRINGER INGELHEIM KG (DE) 1993-03-23 US disclosed
EP-0402923-A2 2,5-Diaminotetralines, process for their preparation and their use as medicine BOEHRINGER INGELHEIM KG (DE) 1990-12-19 EP disclosed