SCHEMBL5969950

SCHEMBL5969950

N[C@H]1C[C@@H](OC(=O)O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.59
SLC6A3 Q01959 6/20 0.59
SLC6A4 P31645 4/20 0.49
KDM1A O60341 4/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
CHRNA7 P36544 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL4607072 0.87 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4HTR3EHTR3B
SCHEMBL27922848 0.80 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4MAPTPOLB
SCHEMBL5318520 0.80 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4KDM1AMAOB
SCHEMBL30259179 0.73 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4KDM1AMAOB
SCHEMBL17729387 0.73 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4KDM1AMAOB
SCHEMBL5970111 0.72 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4KDM1AMAOB
SCHEMBL5969949 0.72 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4KDM1AMAOB
SCHEMBL2470428 0.72 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4KDM1AMAOB
SCHEMBL30291012 0.71 ALDH1A1 (0.34) SLC6A2SLC6A3SLC6A4CHRNA7POLB
SCHEMBL3201048 0.71 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738149-B1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 2006-11-29 EP claimed