SCHEMBL12875463

SCHEMBL12875463

COC(=O)c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.56
SLC6A2 P23975 7/20 0.56
SLC6A3 Q01959 7/20 0.56
CHRNA7 P36544 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
EPHX2 P34913 2/20 0.47
MAPT P10636 2/20 0.46
ABL1 P00519 1/20 0.46
HTT P42858 1/20 0.46
RIN1 Q13671 1/20 0.46
FAAH O00519 1/20 0.46

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
Hydrochloric Acid SCHEMBL1164515 0.99 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3CHRNA7MEN1
Hydrochloric Acid SCHEMBL1164513 0.99 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3CHRNA7MEN1
SCHEMBL16147114 0.82 EPHX2 (0.61) MEN1KMT2ACA1CA2EPHX2
SCHEMBL3969710 0.82 PARP10 (0.64) SLC6A4SLC6A2SLC6A3CHRNA7KMT2A
SCHEMBL23536781 0.80 CA1 (0.53) MEN1KMT2ACA1CA2EPHX2
SCHEMBL23594155 0.80 CA1 (0.53) MEN1KMT2ACA1CA2EPHX2
SCHEMBL12345375 0.80 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3CHRNA7MEN1
SCHEMBL8339652 0.80 PARP10 (0.60) CA1CA2EPHX2MAPTFAAH
SCHEMBL2683190 0.79 KDM4E (0.50) CHRNA7MEN1KMT2ACA1CA2
SCHEMBL10243417 0.79 KDM4E (0.50) CHRNA7MEN1KMT2ACA1CA2

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
WO-2011021645-A1 BICYCLIC UREA DERIVATIVE OR PHARMACOLOGICALLY PERMITTED SALT THEREOF 大日本住友製薬株式会社 (JP) 2011-02-24 WO disclosed