SCHEMBL8616078

SCHEMBL8616078

Nc1cccc2c1CC(c1c[nH]cn1)C2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.36
CD44 P16070 2/20 0.34
ADRA1A P35348 1/20 0.30

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
SCHEMBL7681696 0.82 ADRA1A (0.34) ADRA1A
SCHEMBL7644557 0.82 DRD2 (0.39) ADRA1A
SCHEMBL5827252 0.81 ADRA1A (0.44) ADRA1A
Hydrochloric Acid SCHEMBL8614363 0.79 ADRA1A (0.43) ADRA1A
SCHEMBL7103607 0.70 ADRA2A (0.59) ADRA1A
SCHEMBL14206386 0.69 MEN1 (0.51)
SCHEMBL936991 0.67 SLC6A4 (0.40)
SCHEMBL7643514 0.67 SLC6A4 (0.40)
Hydrochloric Acid SCHEMBL2918744 0.66 SLC6A4 (0.39)
SCHEMBL232190 0.65

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
EP-0618906-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE JUVANTIA PHARMA LTD OY (FI) 1998-04-22 EP disclosed
US-5498623-A MULTISTAGE REACTION FOR HALOGENATION OF COMPOUNDS, NITRATION, REDUCTION AND CONVERSION TO DIAZONIUM SALT THEN HALOGENATION FOR COGNITIVE DISORDERS ORION-YHTYMA OY (FI) 1996-03-12 US disclosed