SCHEMBL7954787

SCHEMBL7954787

Cc1ccc([C@@H]2CC[C@H](N(C)C)c3cc(C(=O)O)ccc32)cc1C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.48
SLC6A2 P23975 5/20 0.46
SLC6A3 Q01959 5/20 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
SCHEMBL3362754 0.84 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3
SCHEMBL6946822 0.74 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3
SCHEMBL3363041 0.73 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL3361721 0.71 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3
SCHEMBL7740597 0.71 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3
SCHEMBL6942836 0.71 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3
SCHEMBL10170781 0.70 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3
SCHEMBL11169652 0.70 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3
SCHEMBL3363477 0.70 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL6246770 0.70 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3

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