SCHEMBL7700178

SCHEMBL7700178

COc1ccc2c(c1)CC[C@H](CNCCc1ccccc1)[C@@H]2c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.58
GRIN2B Q13224 6/20 0.51
GRIN1 Q05586 3/20 0.51
NPY5R Q15761 1/20 0.51
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
HTR1A P08908 2/20 0.47
BCHE P06276 2/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7700173 1.00 SLC6A9 (0.58) SLC6A9GRIN2BGRIN1NPY5RADRA1D
SCHEMBL7700176 1.00 SLC6A9 (0.58) SLC6A9GRIN2BGRIN1NPY5RADRA1D
SCHEMBL7703443 0.88 BCHE (0.51) SLC6A9GRIN2BGRIN1ADRA1DADRA1A
SCHEMBL7701272 0.88 BCHE (0.51) SLC6A9GRIN2BGRIN1ADRA1DADRA1A
SCHEMBL7703433 0.88 BCHE (0.51) SLC6A9GRIN2BGRIN1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7705416 0.85 SLC6A9 (0.66) SLC6A9GRIN2BGRIN1NPY5RMTNR1A
SCHEMBL7703316 0.84 ALDH1A1 (0.47) GRIN2BMTNR1AMTNR1B
SCHEMBL7700454 0.84 MTNR1A (0.42) SLC6A9GRIN2BGRIN1ADRA1DADRA1A
SCHEMBL7706107 0.84 MTNR1A (0.42) SLC6A9GRIN2BGRIN1ADRA1DADRA1A
SCHEMBL7702709 0.84 ALDH1A1 (0.47) GRIN2BMTNR1AMTNR1B

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