SCHEMBL3228160

SCHEMBL3228160

COc1ccc2cc(C3(O)CCN4CCCC3C4)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KDM2B Q8NHM5 6/20 0.40

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
SCHEMBL2421988 0.76 KMT2A (0.56)
SCHEMBL9493336 0.76 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3
Oxalic Acid SCHEMBL9493456 0.72 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL1628516 0.69 CYP1A2 (0.46) SLC6A4SLC6A3
SCHEMBL34468469 0.68 CYP1A2 (0.48)
SCHEMBL9492616 0.68 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL9494213 0.66 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3
Oxalic Acid SCHEMBL9492481 0.66 ALDH1A1 (0.48) SLC6A4SLC6A2SLC6A3
SCHEMBL3235577 0.65 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3KDM2B
SCHEMBL5829462 0.64 SLC6A2 (0.52) 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-2010026208-A1 1-AZA-BICYCLO[3.3.1]NONANE OR -3-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-03-11 WO disclosed