SCHEMBL11545188

SCHEMBL11545188

O=C(O)[C@@H]1C[C@@H]2CC[C@H]([C@H]1c1ccccc1)N2Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 2/20 0.48
KCNH2 Q12809 3/20 0.44
OPRK1 P41145 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
LTA4H P09960 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL11543215 1.00 SLC6A4 (0.48) SLC6A4SLC6A3KCNH2OPRK1L3MBTL1
SCHEMBL11543221 1.00 SLC6A4 (0.48) SLC6A4SLC6A3KCNH2OPRK1L3MBTL1
SCHEMBL11544740 0.85 MEN1 (0.40) SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL11542767 0.85 MEN1 (0.40) SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL11542764 0.85 MEN1 (0.40) SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL11544619 0.85 KCNH2 (0.46) SLC6A4SLC6A3KCNH2OPRK1OPRM1
SCHEMBL11548069 0.85 KCNH2 (0.46) SLC6A4SLC6A3KCNH2OPRK1OPRM1
SCHEMBL11544623 0.85 KCNH2 (0.46) SLC6A4SLC6A3KCNH2OPRK1OPRM1
SCHEMBL11095157 0.83 SLC6A4 (0.48) SLC6A4SLC6A3KCNH2OPRK1L3MBTL1
SCHEMBL11097065 0.83 SLC6A4 (0.48) SLC6A4SLC6A3KCNH2OPRK1L3MBTL1

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
US-4179567-A 2-Aryltropane compounds STERLING DRUG INC. (US) 1979-12-18 US disclosed