SCHEMBL7952790

SCHEMBL7952790

Cc1ccc([C@@H]2CC[C@H](N(C)CCO)c3ccccc32)cc1C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.44
SLC6A4 P31645 5/20 0.44
SLC6A3 Q01959 5/20 0.44

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
SCHEMBL3363395 0.84 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3
SCHEMBL7954783 0.79 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL7955310 0.74 MEN1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL6946811 0.72 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3
SCHEMBL22398922 0.72 SLC6A2 (0.80) SLC6A2SLC6A4SLC6A3
SCHEMBL20690372 0.72 SLC6A2 (0.80) SLC6A2SLC6A4SLC6A3
SCHEMBL7963696 0.72 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3
SCHEMBL15046983 0.71 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3
SCHEMBL15046986 0.71 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3
SCHEMBL7954226 0.70 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3

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
WO-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 WO disclosed