SCHEMBL5245094

SCHEMBL5245094

COc1cc(N2CCN(CCc3ccc(OCCCN(C)C)c(C)c3C)CC2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 15/20 0.44
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL5242970 0.90 LMNA (0.43) HTR2AHTR2CLMNAMAPT
SCHEMBL5241842 0.89 LMNA (0.43) SUV39H2HTR2AHTR2CLMNAMAPT
SCHEMBL5183561 0.87 LMNA (0.52) LMNAMAPT
SCHEMBL5244935 0.87 LMNA (0.41) HTR2AHTR2CLMNAMAPT
SCHEMBL5242275 0.86 LMNA (0.40) HTR2AHTR2CLMNAMAPT
SCHEMBL5240767 0.86 SUV39H2 (0.42) SUV39H2HTR2AHTR2CLMNAMAPT
SCHEMBL5242277 0.85 BRD4 (0.40) HTR2AHTR2CLMNAMAPT
SCHEMBL5243314 0.85 LMNA (0.39) HTR2AHTR2CLMNAMAPT
SCHEMBL5243013 0.83 HTR1A (0.43) SUV39H2LMNAMAPT
SCHEMBL5242204 0.83 LMNA (0.42) SUV39H2LMNAMAPT

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
EP-1756107-A2 ARYL-SUBSTITUTED PIPERAZINE DERIVATIVES NEUROGEN CORPORATION (US) 2007-02-28 — — EP claimed
WO-2006009789-A2 ARYL-SUBSTITUTED PIPERAZINE DERIVATIVES NEUROGEN CORPORATION (US) 2006-01-26 — — WO claimed
Send feedback