SCHEMBL4746694

SCHEMBL4746694

CN(C)C(=O)CN1CCN(CCCCCOc2ccc(C(=O)c3ccc(Cl)cc3)c(F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.55
DRD2 P14416 2/20 0.48
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HRH3 Q9Y5N1 10/20 0.46
HRH1 P35367 2/20 0.45
HRH2 P25021 1/20 0.45
MAOB P27338 2/20 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
SCHEMBL4746202 0.90 MAOB (0.54) MAOB
SCHEMBL4747494 0.90 HRH3 (0.46) DRD2MEN1KMT2AHRH3HRH1
SCHEMBL4746681 0.89 HRH3 (0.46) DRD2MEN1KMT2AHRH3HRH1
SCHEMBL4743286 0.88 DRD2 (0.48) LSSDRD2MEN1KMT2AHRH3
SCHEMBL4743300 0.88 HRH3 (0.57) DRD2MEN1KMT2AHRH3HRH1
SCHEMBL4745400 0.85 HTR1A (0.50) LSSDRD2HTR1AHTR2AMEN1
SCHEMBL4746760 0.83 HRH3 (0.51) DRD2MEN1KMT2AHRH3HRH1
SCHEMBL4745404 0.81 F10 (0.49) DRD2MEN1KMT2AHRH3HRH1
SCHEMBL4746206 0.80 HRH3 (0.57) MEN1KMT2AHRH3
SCHEMBL4745363 0.79 HRH3 (0.56) MEN1KMT2AHRH3

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-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed