SCHEMBL4743798

SCHEMBL4743798

CCOc1ccc(C(=O)c2ccc(OCCCCCN3CCN(CC(=O)N(C)C)CC3)cc2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.49
HRH1 P35367 7/20 0.48
HRH2 P25021 6/20 0.48
BCHE P06276 4/20 0.48
ACHE P22303 4/20 0.48
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HRH3 Q9Y5N1 2/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 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
SCHEMBL4743300 0.86 HRH3 (0.57) HRH4HRH1BCHEACHEHRH3
SCHEMBL4850163 0.84 HRH4 (0.48) HRH4HRH1HRH2BCHEACHE
SCHEMBL4746760 0.80 HRH3 (0.51) HRH4HRH1BCHEACHEHRH3
SCHEMBL4746684 0.80 HRH4 (0.55) HRH4BCHEACHEKDM4EALDH1A1
SCHEMBL4743813 0.79 HRH3 (0.55) HRH4HRH1HRH2HRH3DRD2
SCHEMBL4745404 0.79 F10 (0.49) HRH4HRH1HRH2KDM4EALDH1A1
SCHEMBL4743286 0.78 DRD2 (0.48) HRH1KDM4EALDH1A1HRH3POLB
SCHEMBL4746202 0.78 MAOB (0.54)
SCHEMBL4747494 0.77 HRH3 (0.46) HRH4HRH1HRH2HRH3DRD2
SCHEMBL4746681 0.77 HRH3 (0.46) HRH4HRH1HRH3DRD2

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