SCHEMBL1012742

SCHEMBL1012742

COC(=O)[C@@]12CC[C@@H](C[C@H](c3ccccc3)C1)N2C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A3 Q01959 7/20 0.39
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 5/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
MAPT P10636 3/20 0.38

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
SCHEMBL23924861 0.89 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4
SCHEMBL30899722 0.88 OPRK1 (0.42) SLC6A3SLC6A2SLC6A4OPRK1
SCHEMBL8481404 0.88 OPRK1 (0.42) SLC6A3SLC6A2SLC6A4OPRK1
SCHEMBL3655052 0.88 SLC6A4 (0.41) SLC6A3SLC6A2SLC6A4
SCHEMBL30198388 0.88 SLC6A4 (0.41) SLC6A3SLC6A2SLC6A4
SCHEMBL4591521 0.86 SLC6A3 (0.45) SLC6A3SLC6A4
SCHEMBL4592572 0.82 MTNR1A (0.39) MEN1KMT2ASLC6A4OPRD1
SCHEMBL4591913 0.80 MEN1 (0.46) MEN1KMT2AMAPT
SCHEMBL5971707 0.78 SLC6A3 (0.42) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL7349981 0.76 LMNA (0.32) MEN1KMT2A

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
EP-1118674-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE TROPINONE MONOCARBOXYLIC ACID DERIVATIVE NIHON MEDIPHYSICS CO LTD (JP) 2011-01-05 EP disclosed