SCHEMBL3842815

SCHEMBL3842815

NC(=O)C1(c2ccccc2)CCCCC1F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.49
AKR1C1 Q04828 1/20 0.42
HDAC4 P56524 2/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37

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
Hydrochloric Acid SCHEMBL8582101 0.94 MAOB (0.49) MAOBAKR1C1LMNAHTTSLC6A2
SCHEMBL28268515 0.82 MAOB (0.49) MAOBAKR1C1HDAC4LMNAHTT
SCHEMBL28505246 0.81 MAOB (0.39) MAOBAKR1C1HDAC4LMNAHTT
SCHEMBL19817376 0.79 AKR1C1 (0.40) MAOBAKR1C1HDAC4SLC6A2SLC6A4
SCHEMBL16112661 0.78 SLC6A3 (0.43) MAOBAKR1C1HDAC4LMNAHTT
Phosphoric Acid SCHEMBL3680815 0.76 CHRM1 (0.38) MAOBAKR1C1HDAC4SLC6A2SLC6A4
SCHEMBL4558511 0.75 MEN1 (0.40) SLC6A2SLC6A4
SCHEMBL4558510 0.75 OPRL1 (0.39) AKR1C1LMNASLC6A2SLC6A4
SCHEMBL5510286 0.75 SLC6A2 (0.40) SLC6A2SLC6A4
SCHEMBL9330906 0.72 AKR1C1 (0.50) AKR1C1HDAC4LMNAHTTSLC6A2

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-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed