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SCHEMBL1379252

SCHEMBL1379252

O=C(NCC1(F)COC1)c1ccc2cc(OCCCN3CCCCC3)ccc2n1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.61
▸ SCN9A Q15858 14/20 0.53
▸ ATF4 P18848 1/20 0.49
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43

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
SCHEMBL2209034 0.86 HRH3 (0.52) HRH3SCN9APDE3BPDE3ATLR9
SCHEMBL1377891 0.84 HRH3 (0.48) HRH3SCN9APDE3BPDE3A
SCHEMBL2210534 0.82 HRH3 (0.60) HRH3SCN9AATF4PDE3BPDE3A
SCHEMBL1381004 0.80 HRH3 (0.65) HRH3SCN9AATF4PDE3BPDE3A
SCHEMBL2209038 0.79 HRH3 (0.59) HRH3SCN9AATF4
SCHEMBL2208642 0.79 HRH3 (0.78) HRH3SCN9A
SCHEMBL1381470 0.79 HRH3 (0.63) HRH3SCN9AATF4
SCHEMBL2209209 0.77 HRH3 (0.81) HRH3SCN9AATF4
SCHEMBL2211794 0.77 HRH3 (0.98) HRH3SCN9A
SCHEMBL2208108 0.77 HRH3 (0.85) HRH3SCN9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805166-B1 QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-27 — — EP claimed
JP-4660553-B2 — — 2011-03-30 — — JP claimed
EP-1805166-B1 QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-27 — — EP disclosed