SCHEMBL7547844

SCHEMBL7547844

OCC(c1ccccc1)C1CCNC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.49
SLC6A4 P31645 18/20 0.49
SLC6A3 Q01959 18/20 0.49
CYP2D6 P10635 2/20 0.46

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
SCHEMBL1697227 0.90 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3
SCHEMBL5316106 0.83 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL25324799 0.80 FFAR1 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL7428096 0.77 MEN1 (0.55)
SCHEMBL11771618 0.77 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6451097 0.75 MAN2A1 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL966816 0.75 MEN1 (0.58)
SCHEMBL20595715 0.74 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL20595781 0.74 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL6641573 0.74 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed