SCHEMBL9049776

SCHEMBL9049776

CC1=Cc2cc(-c3nnnn3CCc3ccc(OCc4ccccc4)cc3)ccc2OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
HMOX1 P09601 1/20 0.36
MAOB P27338 1/20 0.35
HSD11B1 P28845 2/20 0.35
MAPT P10636 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PRKDC P78527 1/20 0.35
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 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
SCHEMBL8886788 0.91 HSD11B1 (0.40) HSD11B1SLC6A2SLC6A4ALDH1A1POLB
SCHEMBL9050197 0.87 HIF1A (0.39) HRH3HMOX1MAOBHSD11B1MAPT
SCHEMBL8883313 0.81 P2RX7 (0.48) HSD11B1ALDH1A1POLBHTT
SCHEMBL8884017 0.77 HIF1A (0.41) HSD11B1ALDH1A1POLBHTT
SCHEMBL9394843 0.74 KCNE1 (0.40) HSD11B1SLC6A2SLC6A4ALDH1A1HTT
SCHEMBL9050508 0.73 HIF1A (0.43) HSD11B1SLC6A2SLC6A4ALDH1A1HTT
SCHEMBL9050242 0.73 SLC6A2 (0.33) HRH3MAOBHSD11B1MAPTSLC6A2
SCHEMBL8885092 0.72 SMN1; SMN2 (0.40) ALDH1A1
SCHEMBL9053708 0.71 HSD11B1 (0.39) HSD11B1ALDH1A1POLB
SCHEMBL8886146 0.71 HIF1A (0.40) HSD11B1SLC6A2SLC6A4ALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690855-B1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LTD (GB) 1996-12-18 EP disclosed
WO-1994020491-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LIMITED (GB) 1994-09-15 WO disclosed