SCHEMBL483779

SCHEMBL483779

O=C(CN1C(=O)C2(COc3cc4c(cc32)CCCC4)C2=C1CC=CC2)Nc1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 3/20 0.37
PKM P14618 1/20 0.36
SCN9A Q15858 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
SCHEMBL483781 0.85 POLB (0.41) POLBTSHRMEN1KMT2AALDH1A1
SCHEMBL280995 0.84 SCN9A (0.49) POLBTSHRMEN1KMT2AALDH1A1
SCHEMBL281017 0.83 SCN9A (0.49) POLBTSHRMEN1KMT2AALDH1A1
SCHEMBL483780 0.78 POLB (0.39) POLBTSHRALDH1A1L3MBTL1NPC1
SCHEMBL280866 0.75 SCN9A (0.48) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL281805 0.74 SCN9A (0.61) POLBTSHRMEN1KMT2AALDH1A1
SCHEMBL280798 0.74 POLB (0.47) POLBTSHRMEN1KMT2AALDH1A1
SCHEMBL281247 0.73 PTGDR2 (0.44) POLBMAPT
SCHEMBL280676 0.72 SCN9A (0.58) POLBTSHRALDH1A1NPC1RAB9A
SCHEMBL2305385 0.72 SCN9A (0.53) POLBTSHRALDH1A1SCN9A

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