SCHEMBL1903261

SCHEMBL1903261

CN1CCc2ccc(F)cc2CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 9/20 0.50
DRD5 P21918 9/20 0.50
DRD2 P14416 8/20 0.50
DRD3 P35462 7/20 0.50
DRD4 P21917 5/20 0.49
MAOA P21397 4/20 0.48
MAOB P27338 4/20 0.48
NOTUM Q6P988 1/20 0.47
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A4 P31645 1/20 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
SCHEMBL12363785 0.94 MAOA (0.59) DRD1DRD5DRD2DRD3DRD4
SCHEMBL2625799 0.92 MAOA (0.55) DRD1DRD5DRD2DRD3DRD4
SCHEMBL8342556 0.81
SCHEMBL6952918 0.77 NOTUM (0.59) NOTUMALDH1A1
Ethane SCHEMBL28782548 0.77 NPC1 (0.49) NOTUMALDH1A1
SCHEMBL5245075 0.77 NPC1 (0.47) ALDH1A1
SCHEMBL31593929 0.77 NPC1 (0.52) ALDH1A1
SCHEMBL30634164 0.77 NPC1 (0.47) ALDH1A1
SCHEMBL798296 0.77 NPC1 (0.52) ALDH1A1
SCHEMBL5741261 0.76 ALDH1A1 (0.49) DRD1DRD5DRD2DRD3NOTUM

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-2322162-A1 5HT2C receptor modulator compositions and methods of use Arena Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed