SCHEMBL4746372

SCHEMBL4746372

COc1ccc(Cl)cc1-c1coc2cc(OCCCCCN3CCN(CC(=O)NC(C)C)CC3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.48
AVPR1B P47901 4/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNA5 P22460 1/20 0.43
MAOB P27338 4/20 0.42

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
SCHEMBL4741990 0.92 HRH3 (0.46) HRH3AVPR1BKDM4EMAOB
SCHEMBL4744940 0.90 HRH3 (0.46) HRH3AVPR1BMAOB
SCHEMBL4742617 0.88 HRH3 (0.53) HRH3AVPR1B
SCHEMBL4745561 0.88 HRH3 (0.53) HRH3AVPR1B
SCHEMBL4744489 0.88 HRH3 (0.53) HRH3
SCHEMBL4744978 0.87 HRH3 (0.54) HRH3AVPR1B
SCHEMBL4746425 0.86 HRH3 (0.63) HRH3
SCHEMBL4745673 0.85 HRH3 (0.51) HRH3AVPR1B
SCHEMBL4746415 0.84 AVPR1B (0.53) HRH3AVPR1B
SCHEMBL4746404 0.84 HRH3 (0.50) HRH3AVPR1BKDM4EALDH1A1

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
WO-2008107321-A1 HETEROCYCLIC COMPOUNDS USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed