SCHEMBL483780

SCHEMBL483780

O=C(CN1C(=O)C2(COc3cc4c(cc32)CCCC4)C2=CC=CCC21)Nc1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
ALDH1A1 P00352 7/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RCE1 Q9Y256 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35

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
SCHEMBL280995 0.79 SCN9A (0.49) POLBALDH1A1TP53TSHR
SCHEMBL483779 0.78 POLB (0.42) POLBALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL281017 0.78 SCN9A (0.49) POLBALDH1A1TP53TSHR
SCHEMBL483781 0.77 POLB (0.41) POLBALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL280866 0.69 SCN9A (0.48) POLBALDH1A1MAPT
SCHEMBL280798 0.69 POLB (0.47) POLBALDH1A1L3MBTL1TP53TSHR
SCHEMBL281805 0.69 SCN9A (0.61) POLBALDH1A1TP53TSHR
SCHEMBL281247 0.68 PTGDR2 (0.44) POLBMAPT
SCHEMBL19562308 0.68
SCHEMBL280676 0.67 SCN9A (0.58) POLBALDH1A1NPC1RAB9ATSHR

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
EP-1888595-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-01 EP disclosed