SCHEMBL7326879

SCHEMBL7326879

CC(=O)Nc1cccc2c1CCC(NCCCc1ccccc1)C2

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.60
SIGMAR1 Q99720 4/20 0.60
GRIN1 Q05586 1/20 0.54
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
DRD4 P21917 1/20 0.46

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 SCHEMBL7336666 0.99 GRIN2B (0.59) GRIN2BSIGMAR1GRIN1DRD2DRD3
Hydrochloric Acid SCHEMBL7327548 0.96 GRIN2B (0.60) GRIN2BSIGMAR1GRIN1
Hydrochloric Acid SCHEMBL7328949 0.96 GRIN2B (0.60) GRIN2BSIGMAR1GRIN1
Hydrochloric Acid SCHEMBL7327564 0.96 GRIN2B (0.60) GRIN2BSIGMAR1GRIN1
Hydrochloric Acid SCHEMBL7328559 0.96 GRIN2B (0.60) GRIN2BSIGMAR1GRIN1
Hydrochloric Acid SCHEMBL7326697 0.96 GRIN2B (0.60) GRIN2BSIGMAR1GRIN1
Hydrochloric Acid SCHEMBL7328346 0.96 GRIN2B (0.60) GRIN2BSIGMAR1GRIN1
SCHEMBL7327888 0.94 GRIN2B (0.58) GRIN2BSIGMAR1DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL7335303 0.93 GRIN2B (0.57) GRIN2BSIGMAR1DRD2DRD3DRD4
SCHEMBL7328335 0.87 DRD2 (0.61) GRIN2BDRD2DRD3DRD4

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 2 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 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