SCHEMBL4742542

SCHEMBL4742542

CN1CCC(NC(=O)CN2CCN(CCCCCOc3ccc4c(-c5ccc(Cl)cc5)coc4c3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.49
SIGMAR1 Q99720 2/20 0.46
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44

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
SCHEMBL4743420 0.94 HRH3 (0.51) HRH3SIGMAR1PDK1PDK2
SCHEMBL4741958 0.93 HRH3 (0.53) HRH3SIGMAR1PDK1PDK2
SCHEMBL4788196 0.90 HRH3 (0.46) HRH3SIGMAR1PDK1PDK2
SCHEMBL4741928 0.88 HRH3 (0.54) HRH3SIGMAR1PDK1PDK2
SCHEMBL4744473 0.88 HRH3 (0.50) HRH3SIGMAR1PDK1PDK2
SCHEMBL4787609 0.87 HRH3 (0.45) HRH3SIGMAR1PDK1PDK2
SCHEMBL4742556 0.87 HRH3 (0.54) HRH3SIGMAR1PDK1PDK2
SCHEMBL4746388 0.86 HRH3 (0.54) HRH3SIGMAR1PDK1PDK2
SCHEMBL4742644 0.86 HRH3 (0.52) HRH3SIGMAR1PDK1PDK2
SCHEMBL4744422 0.86 AVPR1B (0.52) HRH3SIGMAR1PDK1PDK2

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