SCHEMBL9870440

SCHEMBL9870440

N#CCCOC(=O)CCC1(c2ccc(F)cc2)OCCO1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
HSD11B1 P28845 2/20 0.33
HTR7 P34969 1/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A4 P31645 1/20 0.32
KLK7 P49862 1/20 0.31
MAPT P10636 2/20 0.30
HPGD P15428 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CCR5 P51681 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ATM Q13315 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
SCHEMBL9869830 0.82 HTR6 (0.33) L3MBTL1HSD11B1LMNAKLK7MAPT
SCHEMBL4398729 0.78 MGLL (0.36) HSD11B1LMNAKLK7MAPTHPGD
SCHEMBL2083953 0.71 CA12 (0.39) LMNAMAPTHPGDMEN1KMT2A
SCHEMBL2747320 0.70 HSD11B1 (0.46) HSD11B1LMNAMEN1KMT2A
SCHEMBL10011229 0.69 ADRA2A (0.44) MAPTMEN1KMT2AALDH1A1
SCHEMBL8537470 0.66 ALDH1A1 (0.40) L3MBTL1LMNAMAPTHPGDMEN1
SCHEMBL31377741 0.66 HSD11B1 (0.53) HSD11B1MEN1KMT2A
SCHEMBL13067194 0.66 PRKCG (0.38) L3MBTL1MAPT
SCHEMBL11248214 0.65 SLC6A3 (0.34) LMNASLC6A4MEN1KMT2A
SCHEMBL7557937 0.65 EGFR (0.36) LMNASLC6A4MEN1KMT2ACCR5

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-5077288-A Adrenergic, serotonin and histamine antagonist ADIR ET COMPAGNIE (FR) 1991-12-31 US disclosed