SCHEMBL28015404

SCHEMBL28015404

NC(=O)c1ccc(C2CCCC2N2CCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.53
PARP10 Q53GL7 2/20 0.44
MAOA P21397 1/20 0.43
HSD11B1 P28845 2/20 0.43
PARP15 Q460N3 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
MBTD1 Q05BQ5 3/20 0.41
L3MBTL3 Q96JM7 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53BP1 Q12888 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.41

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
SCHEMBL28160548 0.86 HRH3 (0.51) HRH3PARP10MAOAHSD11B1MBTD1
SCHEMBL28160612 0.84 MAOA (0.50) HRH3PARP10MAOAHSD11B1PARP15
SCHEMBL28014793 0.74 SLC6A9 (0.40)
SCHEMBL28014792 0.74 SLC6A9 (0.40)
SCHEMBL1514836 0.74 HSD11B1 (0.48) HSD11B1L3MBTL3L3MBTL1TP53BP1
SCHEMBL27839159 0.73 PARP10 (0.45) HRH3PARP10MAOAPARP15PARP2
SCHEMBL8218040 0.72 HRH3 (0.60) HRH3PARP10MBTD1L3MBTL3L3MBTL1
SCHEMBL12128213 0.70 HRH3 (1.00) HRH3
SCHEMBL449365 0.70 HRH3 (1.00) HRH3
SCHEMBL438479 0.70 HRH3 (1.00) HRH3

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-102482203-B Carbocyclic GLYT1 receptor antagonists HOFFMANN LA ROCHE 2015-06-03 CN disclosed