SCHEMBL4746415

SCHEMBL4746415

CC(C)NC(=O)CN1CCN(CCCCCOc2ccc3c(-c4ccc(F)c(Cl)c4)coc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 7/20 0.53
HRH3 Q9Y5N1 4/20 0.49
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 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
SCHEMBL4746404 0.94 HRH3 (0.50) AVPR1BHRH3PDK1PDK2
SCHEMBL4745160 0.94 HRH3 (0.50) AVPR1BHRH3PDK1PDK2
SCHEMBL4745561 0.92 HRH3 (0.53) AVPR1BHRH3PDK1PDK2
SCHEMBL4742617 0.92 HRH3 (0.53) AVPR1BHRH3PDK1PDK2
SCHEMBL4744978 0.91 HRH3 (0.54) AVPR1BHRH3PDK1PDK2
SCHEMBL4742548 0.91 HRH3 (0.53) AVPR1BHRH3PDK1PDK2
SCHEMBL4745673 0.89 HRH3 (0.51) AVPR1BHRH3PDK1PDK2
SCHEMBL4746425 0.88 HRH3 (0.63) HRH3PDK1PDK2
SCHEMBL4744940 0.88 HRH3 (0.46) AVPR1BHRH3
SCHEMBL4741990 0.88 HRH3 (0.46) AVPR1BHRH3

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