SCHEMBL4992376

SCHEMBL4992376

CNC[C@@H](O)[C@@H](Oc1cccc2sc(F)cc12)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F9 P00740 13/20 0.43
F10 P00742 13/20 0.43
PLAU P00749 13/20 0.43
SLC6A2 P23975 7/20 0.40
SLC6A4 P31645 7/20 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
SCHEMBL5001225 1.00 F9 (0.43) F9F10PLAUSLC6A2SLC6A4
SCHEMBL5025092 0.87 F9 (0.47) F9F10PLAU
SCHEMBL5025098 0.87 F9 (0.47) F9F10PLAU
SCHEMBL14091599 0.81 SLC6A2 (0.40) F9F10PLAUSLC6A2SLC6A4
SCHEMBL14091617 0.81 SLC6A2 (0.40) F9F10PLAUSLC6A2SLC6A4
SCHEMBL14091600 0.81 SLC6A2 (0.40) F9F10PLAUSLC6A2SLC6A4
SCHEMBL14091616 0.81 SLC6A2 (0.40) F9F10PLAUSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5003396 0.80 SLC6A2 (0.40) F9F10PLAUSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4997560 0.80 SLC6A2 (0.40) F9F10PLAUSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4997546 0.80 SLC6A2 (0.40) F9F10PLAUSLC6A2SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410996-B2 3-aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7410996-B2 3-aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7410996-B2 3-aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed