SCHEMBL7328335

SCHEMBL7328335

CC(=O)Nc1cccc2c1CCC(NCc1ccccc1)C2

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.61
DRD3 P35462 4/20 0.61
GRIN2B Q13224 3/20 0.56
SLC18A3 Q16572 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
RB1 P06400 2/20 0.45
DRD4 P21917 2/20 0.44
FYN P06241 1/20 0.44

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 SCHEMBL7331688 0.99 DRD2 (0.60) DRD2DRD3GRIN2BSLC18A3CA1
SCHEMBL8671620 0.91 GRIN2B (0.56) DRD2DRD3GRIN2BSLC18A3MTNR1A
SCHEMBL7327888 0.89 GRIN2B (0.58) DRD2DRD3GRIN2BSLC18A3CA1
Hydrochloric Acid SCHEMBL9593059 0.89 DRD2 (0.47) DRD2DRD3GRIN2BSLC18A3CA1
Hydrochloric Acid SCHEMBL7335303 0.88 GRIN2B (0.57) DRD2DRD3GRIN2BSLC18A3CA1
SCHEMBL7326879 0.87 GRIN2B (0.60) DRD2DRD3GRIN2BDRD4
Hydrochloric Acid SCHEMBL7336666 0.86 GRIN2B (0.59) DRD2DRD3GRIN2BDRD4
SCHEMBL7336034 0.85 DRD2 (0.57) DRD2DRD3SLC18A3CA1CA2
Hydrochloric Acid SCHEMBL7328559 0.85 GRIN2B (0.60) GRIN2B
Hydrochloric Acid SCHEMBL7326697 0.85 GRIN2B (0.60) GRIN2B

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