SCHEMBL5317199

SCHEMBL5317199

[CH2]C(=O)NCc1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.49
▸ MAOB P27338 1/20 0.48
▸ GSK3B P49841 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KCNA5 P22460 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ EPHX2 P34913 2/20 0.42
▸ MET P08581 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ AGXT P21549 1/20 0.42
▸ AKR1A1 P14550 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ ERCC1 P07992 1/20 0.41
▸ ERCC4 Q92889 1/20 0.41
▸ NR1H4 Q96RI1 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
SCHEMBL4329517 0.86 CNR1 (0.45) P2RX7MAPK8METERCC1ERCC4
SCHEMBL3568253 0.84 P2RX7 (0.53) P2RX7MAOBGSK3BMEN1KMT2A
SCHEMBL626266 0.82 P2RX7 (0.49) P2RX7MAOBGSK3BMEN1KMT2A
SCHEMBL5315312 0.82 P2RX7 (0.52) P2RX7MAOBGSK3BMEN1KMT2A
SCHEMBL23482150 0.79 P2RX7 (0.56) P2RX7MAOBMEN1KMT2AKCNA5
SCHEMBL18887627 0.79 P2RX7 (0.50) P2RX7MAOBERCC1ERCC4
SCHEMBL30259905 0.79 P2RX7 (0.56) P2RX7MAOBMEN1KMT2AKCNA5
SCHEMBL23981793 0.79 P2RX7 (0.53) P2RX7MAOBGSK3BMEN1KMT2A
SCHEMBL4032263 0.79 P2RX7 (0.53) P2RX7MAOBGSK3BMEN1KMT2A
SCHEMBL4243583 0.79 P2RX7 (0.47) P2RX7MAOBGSK3BMEN1KMT2A

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
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 — — WO claimed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 — — WO disclosed
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