SCHEMBL11501244

SCHEMBL11501244

C=CCC(=O)C1(c2ccccc2Sc2ccccc2)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.36
HTR3A P46098 3/20 0.36
OPRM1 P35372 1/20 0.36
SIRT1 Q96EB6 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
BLM P54132 1/20 0.33
MAPT P10636 3/20 0.32
HTT P42858 2/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
SLC6A9 P48067 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL11477282 0.84 OPRM1 (0.44) HTR1AHTR3AOPRM1SIRT1SMN1; SMN2
Hydrochloric Acid SCHEMBL11477019 0.83 OPRM1 (0.43) HTR1AHTR3AOPRM1SIRT1KMT2A
SCHEMBL11253111 0.82 HTR1A (0.43) HTR1AHTR3AOPRM1SIRT1LMNA
Bromide SCHEMBL11427829 0.81 HTR1A (0.42) HTR1AHTR3AOPRM1SIRT1LMNA
SCHEMBL11477972 0.80 HTR1A (0.41) HTR1AHTR3AOPRM1SIRT1SMN1; SMN2
Hydrochloric Acid SCHEMBL11476881 0.79 HTR1A (0.43) HTR1AHTR3AOPRM1SIRT1ALDH1A1
SCHEMBL11477520 0.76 OPRM1 (0.63) OPRM1SMN1; SMN2
Oxalic Acid SCHEMBL11490107 0.74 OPRM1 (0.60) OPRM1
SCHEMBL11249097 0.74 HTR1A (0.46) HTR1AHTR3AOPRM1SIRT1SMN1; SMN2
Bromide SCHEMBL11427938 0.73 HTR1A (0.45) HTR1AHTR3AOPRM1SIRT1SMN1; SMN2

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-4198419-A Phenylthiophenylpiperidines AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed