SCHEMBL27782829

SCHEMBL27782829

OCC[C@@H](c1ccccc1)N1CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.69
SLC6A2 P23975 14/20 0.64
SLC6A3 Q01959 6/20 0.60
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP2D6 P10635 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTR7 P34969 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL9816200 1.00 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL12806778 0.90 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL12806751 0.89 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL7094571 0.88 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2
SCHEMBL14035499 0.86 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL5139722 0.86 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL5074166 0.84 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2
SCHEMBL8907832 0.84 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL10413788 0.83 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL5444533 0.82 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2

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
CN-101512336-A Stimulation of pancreatic beta cell proliferation UNIV ROCKEFELLER (US) 2009-08-19 CN claimed
CN-101512336-A Stimulation of pancreatic beta cell proliferation UNIV ROCKEFELLER (US) 2009-08-19 CN disclosed