SCHEMBL11544747

SCHEMBL11544747

COC(=O)C1=CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
AR P10275 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NR1H2 P55055 1/20 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
SCHEMBL1335723 0.82 CHRM4 (0.47) KMT2AALDH1A1
SCHEMBL4781619 0.77 KDM4E (0.41) KMT2AALDH1A1LMNA
SCHEMBL14637570 0.75 SLC6A3 (0.45) KMT2AL3MBTL1SLC6A4SLC6A3AR
SCHEMBL1015012 0.72 SLC6A4 (0.54) KMT2AL3MBTL1SLC6A4SLC6A3ALDH1A1
SCHEMBL1011495 0.72 SLC6A4 (0.54) KMT2AL3MBTL1SLC6A4SLC6A3ALDH1A1
SCHEMBL3648918 0.72 RECQL (0.38) KMT2AL3MBTL1
SCHEMBL1335775 0.72 SLC6A4 (0.48) KMT2ASLC6A4SLC6A3
SCHEMBL1333470 0.72 SIGMAR1 (0.47) SLC6A4
SCHEMBL1335773 0.72 SLC6A4 (0.48) KMT2ASLC6A4SLC6A3
SCHEMBL1513406 0.72 SLC6A2 (0.49) SLC6A4SLC6A3

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