SCHEMBL9050314

SCHEMBL9050314

COc1ccc(CCn2nnnc2-c2ccc3c(c2)[C@@H]2O[C@@H]2C(C)(C)O3)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
HSD11B1 P28845 2/20 0.41
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 4/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 3/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
SLC5A2 P31639 1/20 0.34
NPC1 O15118 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
QPCT Q16769 1/20 0.33

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
SCHEMBL9397103 0.91 SLC6A2 (0.39) SLC6A2SLC6A4HSD11B1ALDH1A1LMNA
SCHEMBL8885300 0.90 HSD11B1 (0.39) SLC6A2SLC6A4HSD11B1ALDH1A1HTT
SCHEMBL9392945 0.85 ALDH1A1 (0.39) SLC6A2SLC6A4HSD11B1ALDH1A1HTT
SCHEMBL9396981 0.85 HSD11B1 (0.36) SLC6A2SLC6A4HSD11B1ALDH1A1HTT
SCHEMBL9394842 0.84 SLC6A2 (0.40) SLC6A2SLC6A4HSD11B1ALDH1A1HTT
SCHEMBL9393081 0.83 SLC6A2 (0.40) SLC6A2SLC6A4HSD11B1ALDH1A1HTT
SCHEMBL9397041 0.80 ALDH1A1 (0.45) SLC6A2SLC6A4HSD11B1ALDH1A1HTT
SCHEMBL9054344 0.80 HSD11B1 (0.40) SLC6A2SLC6A4HSD11B1ALDH1A1LMNA
SCHEMBL9050508 0.77 HIF1A (0.43) SLC6A2SLC6A4HSD11B1ALDH1A1HTT
SCHEMBL9397063 0.77 HSD11B1 (0.37) SLC6A2SLC6A4HSD11B1ALDH1A1HTT

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