SCHEMBL9640804

SCHEMBL9640804

CC(O)CN(CCN(Cc1ccccc1)Cc1ccccc1)CC(C)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
RECQL P46063 1/20 0.54
HTT P42858 1/20 0.45
POLB P06746 1/20 0.44
RORC P51449 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CALM1 P0DP23 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
OPRK1 P41145 2/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
HDAC3 O15379 2/20 0.41

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
SCHEMBL9640535 0.93 TSHR (0.51) TSHRRECQLPOLBRORCMEN1
SCHEMBL12786257 0.90 TSHR (0.64) TSHRRECQLPOLBMEN1KMT2A
SCHEMBL9597865 0.90 TSHR (0.59) TSHRRECQLPOLBRORCMEN1
SCHEMBL1608155 0.90 TSHR (0.59) TSHRRECQLPOLBRORCMEN1
SCHEMBL5425398 0.90 TSHR (0.64) TSHRRECQLPOLBMEN1KMT2A
SCHEMBL893965 0.90 TSHR (0.59) TSHRRECQLPOLBRORCMEN1
Hydrochloric Acid SCHEMBL9623842 0.89 TSHR (0.62) TSHRRECQLPOLBMEN1KMT2A
SCHEMBL17941715 0.86 ALDH1A1 (0.53) TSHRRECQLHTTPOLBMEN1
SCHEMBL2310169 0.86 TSHR (0.51) TSHRRECQLPOLBMEN1KMT2A
SCHEMBL725217 0.86 ALDH1A1 (0.53) TSHRRECQLHTTPOLBMEN1

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-5128408-A Quaternized amino polyurethane- or polyurethaneurea-polysiloxanes treated with heparin TOYO BOSEKI KABUSHIKI KAISHA (JP) 1992-07-07 US disclosed