SCHEMBL1416482

SCHEMBL1416482

CN(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
SLC6A2 P23975 1/20 0.58
HTR2A P28223 1/20 0.58
SLC6A4 P31645 1/20 0.58
ADRA1A P35348 1/20 0.58
OPRK1 P41145 1/20 0.58
SLC6A3 Q01959 1/20 0.58
KCNH2 Q12809 1/20 0.58
HPGD P15428 1/20 0.54
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.48
KMT2A Q03164 3/20 0.47

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
SCHEMBL10723226 1.00 NR4A2 (0.58) NR4A2ADRA2BADRA2CSLC6A2HTR2A
SCHEMBL27711514 0.91 NR4A2 (0.51) NR4A2ADRA2BADRA2CSLC6A2HTR2A
SCHEMBL11823514 0.88 ADRA2B (0.56) NR4A2ADRA2BADRA2CSLC6A2HTR2A
SCHEMBL900942 0.86 ADRA2B (0.54) NR4A2ADRA2BADRA2CSLC6A2HTR2A
SCHEMBL17772991 0.86 NR4A2 (0.51) NR4A2ADRA2BADRA2CSLC6A2HTR2A
SCHEMBL8797866 0.86 NPC1 (0.49) NR4A2ADRA2BADRA2CSLC6A2HTR2A
SCHEMBL7469312 0.86 NPC1 (0.49) NR4A2ADRA2BADRA2CSLC6A2HTR2A
SCHEMBL8797872 0.86 NPC1 (0.49) NR4A2ADRA2BADRA2CSLC6A2HTR2A
SCHEMBL7140937 0.86 NPC1 (0.49) NR4A2ADRA2BADRA2CSLC6A2HTR2A
SCHEMBL17931635 0.84 MAOB (0.52) NR4A2ADRA2BADRA2CSLC6A2HTR2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190021380-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2019-01-24 US disclosed
EP-1721898-B1 Quinoline and pyridoquinoxaline derivatives as antibacterial agents UNIV JORDAN (JO) 2011-03-16 EP disclosed
US-RE32534-E Peptides, process for preparing the same and psychodepressant compositions containing the same AMANO PHARMACEUTICAL CO., LTD. (JP) 1987-10-27 US disclosed
EP-0107860-B1 PEPTIDES, PROCESS FOR PREPARING THE SAME AND PSYCHODEPRESSANT COMPOSITIONS CONTAINING THE SAME AMANO PHARMACEUTICAL CO., LTD. (JP) 1986-09-17 EP disclosed
US-4517180-A SCHIZOPHRENIA AMANO PHARMACEUTICAL CO., LTD (JP) 1985-05-14 US disclosed
EP-0107860-A1 Peptides, process for preparing the same and psychodepressant compositions containing the same AMANO PHARMACEUTICAL CO., LTD. (JP) 1984-05-09 EP disclosed