SCHEMBL12507823

SCHEMBL12507823

N[C@@H]1COC(=O)[C@H]1NC(=O)C1Cc2cc(Cl)ccc2N1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ P2RX7 Q99572 3/20 0.33
▸ AADAT Q8N5Z0 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ CACNA1G O43497 3/20 0.32
▸ AHR P35869 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL764562 0.73 RAB9A (0.47) SMYD3POLBLMNAMAPT
SCHEMBL1760636 0.71 SIRT1 (0.44) AADATAHRHDAC8MAPTGAA
SCHEMBL12101100 0.71 EPHX2 (0.36) ROCK2GAA
SCHEMBL3256484 0.70 GAA (0.60) AHRMAPTGAA
SCHEMBL6246219 0.70 GAA (0.60) AHRMAPTGAA
SCHEMBL6164822 0.70 GAA (0.60) AHRMAPTGAA
SCHEMBL14641138 0.70 PYGL (0.57) MAPTGAA
SCHEMBL12507531 0.69 F10 (0.36) —
SCHEMBL12833317 0.69 SMYD3 (0.32) SMYD3ROCK2
SCHEMBL13889887 0.69 GAA (0.42) AHRHDAC8MAPTGAA

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-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 — — EP disclosed
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