SCHEMBL11544740

SCHEMBL11544740

O=C(O)[C@@H]1C[C@@H]2CC[C@H]([C@H]1c1ccccc1)N2CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A3 Q01959 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL11542767 1.00 MEN1 (0.40) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL11542764 1.00 MEN1 (0.40) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL11545188 0.85 SLC6A4 (0.48) SLC6A3SLC6A4OPRK1KCNH2
SCHEMBL11543215 0.85 SLC6A4 (0.48) SLC6A3SLC6A4OPRK1KCNH2
SCHEMBL11543221 0.85 SLC6A4 (0.48) SLC6A3SLC6A4OPRK1KCNH2
SCHEMBL11546516 0.79 SLC6A2 (0.64) SLC6A3SLC6A2SLC6A4
SCHEMBL11546513 0.79 SLC6A2 (0.64) SLC6A3SLC6A2SLC6A4
SCHEMBL11383709 0.79 SLC6A2 (0.64) SLC6A3SLC6A2SLC6A4
SCHEMBL11392402 0.79 SLC6A2 (0.64) SLC6A3SLC6A2SLC6A4
SCHEMBL11392399 0.79 SLC6A2 (0.64) SLC6A3SLC6A2SLC6A4

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

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