SCHEMBL21572136

SCHEMBL21572136

C1CCC2CC3CCCC3CCC2CNC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
HTR2C P28335 1/20 0.34
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
SLC6A1 P30531 2/20 0.30
SLC6A11 P48066 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLC6A13 Q9NSD5 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL16878225 0.91 ALDH1A1 (0.44) ALDH1A1HTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL16878435 0.88
SCHEMBL18413358 0.88 ALDH1A1 (0.42) ALDH1A1
SCHEMBL25019222 0.86 ALDH1A1 (0.38) ALDH1A1HTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL22642381 0.86 ALDH1A1 (0.38) ALDH1A1HTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL20997656 0.85 ALDH1A1 (0.44) ALDH1A1HTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL9485862 0.85 ALDH1A1 (0.44) ALDH1A1HTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL8693935 0.85 ALDH1A1 (0.44) ALDH1A1HTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL1071412 0.85 ALDH1A1 (0.44) ALDH1A1HTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL19997481 0.85 ALDH1A1 (0.44) ALDH1A1HTR2CCYP2D6SLC6A2SLC6A4

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-10483400-B2 Thin film transistor with carbon nanotubes TSINGHUA UNIVERSITY (CN) 2019-11-19 US disclosed