SCHEMBL13630880

SCHEMBL13630880

COc1cc(Cl)c(C(=O)N(C(C)C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OCCCN

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
SUV39H2 Q9H5I1 3/20 0.39
PDE4B Q07343 7/20 0.37
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
NSD2 O96028 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
USP30 Q70CQ3 1/20 0.34
ERBB2 P04626 1/20 0.34
EPHA2 P29317 1/20 0.34
EPHB4 P54760 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL13434374 0.93 SCN9A (0.40) SCN9ASUV39H2PDE4BNSD2EHMT2
SCHEMBL13434517 0.89 SCN9A (0.37) SCN9ASUV39H2PDE4BNSD2EHMT2
SCHEMBL13434506 0.89 SCN9A (0.38) SCN9APDE4BERBB2EPHA2EPHB4
SCHEMBL13434503 0.87 SCN9A (0.39) SCN9ASUV39H2PDE4BALOX5APFEN1
SCHEMBL13434487 0.85 PDE4B (0.41) SCN9APDE4BUSP30
SCHEMBL13630941 0.85 SCN9A (0.40) SCN9APDE4BALOX5APFEN1USP30
SCHEMBL3487836 0.85 KMT2A (0.35) PDE4B
SCHEMBL13434355 0.84 REN (0.40) SCN9APDE4BALOX5APFEN1NSD2
SCHEMBL3487524 0.82 REN (0.39)
SCHEMBL3488763 0.79 KMT2A (0.35)

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-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed