SCHEMBL7698359

SCHEMBL7698359

CN(Cc1ccccc1)CC1CCc2cc(C#N)ccc2C1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.55
SLC6A9 P48067 1/20 0.51
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
SIGMAR1 Q99720 4/20 0.38
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34

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 SCHEMBL7709036 0.87 SLC6A9 (0.68) SLC6A4SLC6A9DRD2DRD3SIGMAR1
SCHEMBL7703310 0.83 SLC6A9 (0.56) SLC6A4SLC6A9DRD2DRD3MTNR1A
SCHEMBL7702711 0.83 SLC6A9 (0.56) SLC6A4SLC6A9DRD2DRD3MTNR1A
SCHEMBL7700452 0.83 SLC6A9 (0.53) SLC6A4SLC6A9SIGMAR1MTNR1AMTNR1B
SCHEMBL7700451 0.83 SLC6A9 (0.53) SLC6A4SLC6A9SIGMAR1MTNR1AMTNR1B
SCHEMBL7704292 0.81 SLC6A9 (0.75) SLC6A9
SCHEMBL7700175 0.81 SLC6A9 (0.75) SLC6A9
SCHEMBL7703437 0.80 SLC6A9 (0.60) SLC6A9KDM1AMAOAMAOB
SCHEMBL7701273 0.80 SLC6A9 (0.60) SLC6A9KDM1AMAOAMAOB
SCHEMBL7698356 0.77 MTNR1A (0.40) SLC6A4SLC6A9DRD2DRD3MTNR1A

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-1100769-B1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL NV (NL) 2002-12-04 EP disclosed
US-6410592-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS AKZO NOBEL N.V. (NL) 2002-06-25 US disclosed