SCHEMBL5814786

SCHEMBL5814786

C=CCN1CCC2(CC1)CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc12.C=CCN1CCC2(CC1)CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
HSD11B1 P28845 1/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CRBN Q96SW2 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL5578713 0.97 POLB (0.45) POLBSLC6A9SLC6A5HSD11B1HTT
SCHEMBL5578510 0.94 HDAC1 (0.39) HSD11B1HTTALDH1A1HDAC1HDAC6
SCHEMBL5578648 0.86 POLB (0.52) POLBHTTALDH1A1CRBNHDAC1
SCHEMBL5579054 0.86 CYP2D6 (0.44) HTTALDH1A1HDAC1HDAC6
SCHEMBL5578688 0.85 HDAC1 (0.48) HDAC1HDAC6MAPT
SCHEMBL5578712 0.85 HDAC1 (0.43) HDAC1HDAC6
SCHEMBL5578575 0.84 HSD11B1 (0.46) SLC6A9SLC6A5HSD11B1HTTCRBN
SCHEMBL5578557 0.84 GAA (0.41) HTTALDH1A1MAPT
SCHEMBL5578768 0.83 HDAC1 (0.41) HSD11B1HTTALDH1A1HDAC1HDAC6
SCHEMBL5578500 0.82 HDAC1 (0.43) HDAC1HDAC6

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
EP-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 WO claimed