SCHEMBL4743808

SCHEMBL4743808

O=C(c1ccc(Cl)cc1)c1ccc(OCCCCCN2CCC(O)(c3ccccc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.64
DRD2 P14416 4/20 0.62
ALDH1A1 P00352 2/20 0.62
DRD3 P35462 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HTR1A P08908 1/20 0.62
DRD1 P21728 1/20 0.62
DRD5 P21918 1/20 0.62
SLC6A2 P23975 1/20 0.62
HTR2A P28223 1/20 0.62
SLC6A4 P31645 1/20 0.62
HTR7 P34969 1/20 0.62
HRH1 P35367 1/20 0.62
HTR2B P41595 1/20 0.62
LMNA P02545 1/20 0.62
KDM4E B2RXH2 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
HRH3 Q9Y5N1 6/20 0.57
DRD4 P21917 1/20 0.57

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
SCHEMBL4746228 0.95 DRD2 (0.69) HRH4DRD2ALDH1A1DRD3MEN1
SCHEMBL4744547 0.87 HRH4 (0.60) HRH4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4746702 0.85 DRD2 (0.57) HRH4DRD2ALDH1A1DRD3MEN1
SCHEMBL4744548 0.85 HRH4 (0.58) HRH4ALDH1A1MEN1KMT2AHRH1
SCHEMBL4745415 0.84 HRH4 (0.56) HRH4ALDH1A1KDM4EHRH3
SCHEMBL7399759 0.83 DRD2 (0.78) DRD2ALDH1A1DRD3MEN1KMT2A
SCHEMBL4745418 0.83 HRH4 (0.55) HRH4ALDH1A1MEN1KMT2AHRH1
SCHEMBL4743805 0.83 KDM4E (0.69) HRH4ALDH1A1MEN1KMT2AHRH1
SCHEMBL7367224 0.81 HRH3 (0.81) HRH4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4743817 0.81 HRH4 (0.52) HRH4ALDH1A1KDM4EHRH3

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