SCHEMBL9397103

SCHEMBL9397103

COc1cccc(CCn2nnnc2-c2ccc3c(c2)[C@@H]2O[C@@H]2C(C)(C)O3)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SIGMAR1 Q99720 1/20 0.36
QPCT Q16769 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
HSD11B1 P28845 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
METAP2 P50579 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
SCHEMBL9050314 0.91 SLC6A2 (0.42) SLC6A2SLC6A4QPCTQPCTLHSD11B1
SCHEMBL8885300 0.88 HSD11B1 (0.39) SLC6A2SLC6A4HSD11B1LMNAALDH1A1
SCHEMBL9392945 0.83 ALDH1A1 (0.39) SLC6A2SLC6A4HSD11B1TSHRALDH1A1
SCHEMBL9396981 0.83 HSD11B1 (0.36) SLC6A2SLC6A4SIGMAR1HSD11B1HRH3
SCHEMBL9394842 0.83 SLC6A2 (0.40) SLC6A2SLC6A4HSD11B1ALDH1A1MEN1
SCHEMBL9393081 0.82 SLC6A2 (0.40) SLC6A2SLC6A4HSD11B1ALDH1A1MEN1
SCHEMBL9397041 0.80 ALDH1A1 (0.45) SLC6A2SLC6A4HSD11B1ALDH1A1MEN1
SCHEMBL8886385 0.79 HIF1A (0.42) SLC6A2SLC6A4SIGMAR1QPCTQPCTL
SCHEMBL9397063 0.76 HSD11B1 (0.37) SLC6A2SLC6A4HSD11B1MAPTTSHR
SCHEMBL9396980 0.75 HSD11B1 (0.39) SLC6A2SLC6A4HSD11B1ALDH1A1MEN1

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-1994020491-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LIMITED (GB) 1994-09-15 WO disclosed