SCHEMBL14525294

SCHEMBL14525294

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ EPHX2 P34913 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RAD52 P43351 1/20 0.34

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
SCHEMBL14529635 0.90 HTR1B (0.60) HTR1BKCNH2ALDH1A1MAPTLMNA
SCHEMBL14526632 0.89 HTR1B (0.63) HTR1BKCNH2ALDH1A1MAPTLMNA
SCHEMBL14525296 0.87 HTR1B (0.64) HTR1BKCNH2ALDH1A1MAPTLMNA
SCHEMBL14525248 0.87 HTR1B (0.74) HTR1BKCNH2ALDH1A1MAPTLMNA
SCHEMBL14525293 0.86 HTR1B (0.62) HTR1BKCNH2ALDH1A1MAPTLMNA
SCHEMBL14525295 0.86 HTR1B (0.62) HTR1BKCNH2ALDH1A1MAPTLMNA
SCHEMBL14526630 0.85 HTR1B (0.65) HTR1BKCNH2ALDH1A1MAPTLMNA
SCHEMBL14530023 0.85 HTR1B (0.65) HTR1BKCNH2ALDH1A1MAPTLMNA
SCHEMBL14529939 0.84 HTR1B (0.62) HTR1BKCNH2ALDH1A1MAPTLMNA
SCHEMBL14525249 0.84 HTR1B (0.68) HTR1BKCNH2SMN1; SMN2RAD52

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-2007053095-A1 CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 — — WO disclosed
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