SCHEMBL14529635

SCHEMBL14529635

CC(O)c1cc2c(c(N3CCN(CC(F)(F)F)CC3)c1)OC(C(=O)Nc1ccc(N3CCOCC3)cc1)CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 1/20 0.60
▸ KCNH2 Q12809 1/20 0.60
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ IDH1 O75874 2/20 0.37
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ TNIK Q9UKE5 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ DRD3 P35462 1/20 0.35

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
SCHEMBL14526632 0.91 HTR1B (0.63) HTR1BKCNH2ALDH1A1MAPTLMNA
SCHEMBL14525294 0.90 HTR1B (0.57) HTR1BKCNH2ALDH1A1MAPTLMNA
SCHEMBL14525296 0.89 HTR1B (0.64) HTR1BKCNH2ALDH1A1MAPTLMNA
SCHEMBL14525248 0.89 HTR1B (0.74) HTR1BKCNH2ALDH1A1MAPTLMNA
SCHEMBL14525293 0.88 HTR1B (0.62) HTR1BKCNH2ALDH1A1MAPTLMNA
SCHEMBL14525295 0.88 HTR1B (0.62) HTR1BKCNH2ALDH1A1MAPTLMNA
SCHEMBL14526630 0.87 HTR1B (0.65) HTR1BKCNH2ALDH1A1MAPTLMNA
SCHEMBL14530023 0.87 HTR1B (0.65) HTR1BKCNH2ALDH1A1MAPTLMNA
SCHEMBL4248608 0.87 HTR1B (0.79) HTR1BKCNH2ALDH1A1MAPTLMNA
SCHEMBL14529939 0.86 HTR1B (0.62) HTR1BKCNH2ALDH1A1MAPTLMNA

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-2007053094-A1 CHROMAN COMPOUNDS AS 5 -HTlB ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 — — WO disclosed
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