SCHEMBL28017684

SCHEMBL28017684

NCC[C@@H](Oc1cccc2ccccc12)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.68
SLC6A4 P31645 15/20 0.68
SLC6A3 Q01959 1/20 0.64
HTR1B P28222 2/20 0.50
NOS2 P35228 2/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL541162 1.00 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3HTR1BNOS2
Bromide SCHEMBL6903611 0.98 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3HTR1BNOS2
SCHEMBL17278119 0.90 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3HTR1B
SCHEMBL8285421 0.86 SLC6A4 (0.69) SLC6A2SLC6A4SLC6A3
SCHEMBL5079373 0.83 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3HTR1B
SCHEMBL28037844 0.81 SLC6A4 (0.67) SLC6A2SLC6A4SLC6A3HTR1B
SCHEMBL9995405 0.81 SLC6A4 (0.67) SLC6A2SLC6A4HTR1B
SCHEMBL5078702 0.81 SLC6A4 (0.75) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL2722680 0.81 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6
Bromide SCHEMBL6726247 0.80 SLC6A4 (0.65) SLC6A2SLC6A4HTR1B

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
CN-104610076-A Synthetic methods for S-dapoxetine and salts thereof UNIV HUNAN CHINESE MEDICINE 2015-05-13 CN disclosed