SCHEMBL21958656

SCHEMBL21958656

COC(=O)C1CN(C)CC1C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 4/20 0.44
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 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
SCHEMBL9051591 0.87 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL9052263 0.87 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL14256081 0.82 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3
SCHEMBL14188732 0.79 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL9051592 0.79 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL14076272 0.79 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL17052871 0.79 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL14820116 0.79 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL25337748 0.79 ALDH1A1 (0.33) ALDH1A1GAAKMT2A
SCHEMBL17929007 0.79 MAPT (0.37) ALDH1A1KMT2A

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-2020081572-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 WO disclosed