SCHEMBL8885300

SCHEMBL8885300

CC1(C)Oc2ccc(-c3nnnn3CCc3ccccc3)cc2[C@@H]2O[C@@H]21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
SLC6A2 P23975 11/20 0.37
SLC6A4 P31645 10/20 0.37
SLC6A3 Q01959 8/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ABCB1 P08183 1/20 0.35
P2RX7 Q99572 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL9394842 0.94 SLC6A2 (0.40) HSD11B1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL9393081 0.93 SLC6A2 (0.40) HSD11B1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL9050314 0.90 SLC6A2 (0.42) HSD11B1SLC6A2SLC6A4ALDH1A1HTT
SCHEMBL9397103 0.88 SLC6A2 (0.39) HSD11B1SLC6A2SLC6A4ALDH1A1MEN1
SCHEMBL9397041 0.88 ALDH1A1 (0.45) HSD11B1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL9396981 0.85 HSD11B1 (0.36) HSD11B1SLC6A2SLC6A4ALDH1A1HTT
SCHEMBL9392945 0.85 ALDH1A1 (0.39) HSD11B1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL8884514 0.84 HSD11B1 (0.41) HSD11B1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL9397063 0.83 HSD11B1 (0.37) HSD11B1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL9396980 0.79 HSD11B1 (0.39) HSD11B1SLC6A2SLC6A4SLC6A3ALDH1A1

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
US-5677324-A MUSCLE RELAXANTS PFIZER INC. (US) 1997-10-14 US disclosed
WO-1994020491-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LIMITED (GB) 1994-09-15 WO disclosed