SCHEMBL28800855

SCHEMBL28800855

CC(=O)OCN1CCC(c2[nH]c3ncccc3c2Sc2ccc(Cl)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
SLC6A4 P31645 1/20 0.40
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CCNT1 O60563 4/20 0.37
CDK9 P50750 4/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
TP53 P04637 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGDR Q13258 1/20 0.36
GAA P10253 1/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL7707692 0.88 CCNT1 (0.49) HSD11B1PTGDR2SLC6A4POLBRXFP1
SCHEMBL14739552 0.86 MAPK11 (0.48) HSD11B1PTGDR2SLC6A4CCNT1CDK9
SCHEMBL7707688 0.84 HSD11B1 (0.47) HSD11B1PTGDR2SLC6A4POLBRXFP1
SCHEMBL7712303 0.83 MAPK11 (0.47) HSD11B1PTGDR2SLC6A4HSD17B10MAPK11
SCHEMBL14739107 0.81 HSD11B1 (0.48) HSD11B1POLBCCNT1CDK9HSD17B10
SCHEMBL7711798 0.80 RHEB (0.39) HSD11B1PTGDR2SLC6A4CDK9
SCHEMBL14738750 0.80 RHEB (0.39) HSD11B1PTGDR2SLC6A4CDK9
SCHEMBL14738748 0.80 RHEB (0.39) HSD11B1PTGDR2SLC6A4CDK9
SCHEMBL14738973 0.77 PDK2 (0.37) HSD11B1PTGDR2SLC6A4MAPT
SCHEMBL7712729 0.77 PDK2 (0.37) HSD11B1PTGDR2SLC6A4MAPT

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
CN-102917707-A Azaindole derivatives useful as modulators of FAAH MERCK SHARP & DOHME 2013-02-06 CN disclosed