SCHEMBL29818375

SCHEMBL29818375

CN1CCC(C2CC2c2ccccc2C(N)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP2 Q9UGN5 3/20 0.43
PARP1 P09874 4/20 0.42
HSD11B1 P28845 1/20 0.39
SIGMAR1 Q99720 3/20 0.39
ACHE P22303 1/20 0.39
HTR1A P08908 3/20 0.38
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
MAP4K1 Q92918 1/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
KDM1B Q8NB78 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37

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
SCHEMBL2791036 0.87 METAP2 (0.42) HSD11B1
SCHEMBL3684019 0.87 METAP2 (0.42) HSD11B1
SCHEMBL3689576 0.87 METAP2 (0.42) HSD11B1
SCHEMBL3682415 0.87 METAP2 (0.42) HSD11B1
SCHEMBL3680794 0.87 METAP2 (0.42) HSD11B1
SCHEMBL31757029 0.80 PARP1 (0.53) PARP2PARP1HTR1ASCN1ASCN2A
SCHEMBL363916 0.80 PARP1 (0.53) PARP2PARP1HTR1ASCN1ASCN2A
SCHEMBL3290607 0.75 METAP2 (0.42) HSD11B1
SCHEMBL2218013 0.74 CHRNA7 (0.50)
SCHEMBL21590329 0.74 PARP1 (0.49) PARP2PARP1

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-2022195522-A1 INHIBITORS OF ANO6 AND THEIR USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-09-22 WO disclosed