SCHEMBL5734673

SCHEMBL5734673

O=CCC(c1ccc(Cl)cc1)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 16/20 0.43
SLC6A2 P23975 15/20 0.43
SLC6A4 P31645 15/20 0.43
P2RX7 Q99572 1/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9539646 0.93 SLC6A2 (0.44) SLC6A3SLC6A2SLC6A4P2RX7MEN1
SCHEMBL20902343 0.83 SLC6A2 (0.38) SLC6A3SLC6A2SLC6A4P2RX7
SCHEMBL5508578 0.81 MEN1 (0.54) MEN1KMT2A
SCHEMBL2439001 0.80 NPC1 (0.40) POLBMEN1KMT2A
SCHEMBL20902391 0.78 SLC6A2 (0.40) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL4249915 0.75 FFAR1 (0.60) SLC6A3SLC6A2SLC6A4P2RX7POLB
SCHEMBL27482051 0.75 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4
SCHEMBL8467745 0.75 SLC6A3 (0.64) SLC6A3SLC6A2SLC6A4POLB
SCHEMBL25333941 0.74 EPHX1 (0.47) MEN1KMT2A
SCHEMBL3653836 0.73 TAS1R3 (0.37) MEN1KMT2A

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-1643989-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
WO-2005002575-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO disclosed