SCHEMBL7700451

SCHEMBL7700451

CN(Cc1ccccc1)C[C@H]1CCc2cc(-c3ccccc3)ccc2[C@H]1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.53
SIGMAR1 Q99720 2/20 0.40
OPRK1 P41145 1/20 0.40
SLC6A4 P31645 1/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDM1A O60341 2/20 0.37
KDM1B Q8NB78 1/20 0.37
HDAC1 Q13547 1/20 0.37
PYCR1 P32322 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL7700452 1.00 SLC6A9 (0.53) SLC6A9SIGMAR1OPRK1SLC6A4MTNR1A
Hydrochloric Acid SCHEMBL7709388 0.86 SLC6A9 (0.72) SLC6A9SIGMAR1OPRK1MTNR1AMTNR1B
SCHEMBL7703449 0.86 SLC6A9 (0.48) SLC6A9SIGMAR1SLC6A4MTNR1AMTNR1B
SCHEMBL7703453 0.86 SLC6A9 (0.48) SLC6A9SIGMAR1SLC6A4MTNR1AMTNR1B
SCHEMBL7703450 0.86 SLC6A9 (0.48) SLC6A9SIGMAR1SLC6A4MTNR1AMTNR1B
SCHEMBL7703310 0.86 SLC6A9 (0.56) SLC6A9OPRK1SLC6A4MTNR1AMTNR1B
SCHEMBL7702711 0.86 SLC6A9 (0.56) SLC6A9OPRK1SLC6A4MTNR1AMTNR1B
SCHEMBL7700175 0.84 SLC6A9 (0.75) SLC6A9
SCHEMBL7704292 0.84 SLC6A9 (0.75) SLC6A9
SCHEMBL7698359 0.83 SLC6A4 (0.55) SLC6A9SIGMAR1SLC6A4MTNR1AMTNR1B

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