SCHEMBL4743795

SCHEMBL4743795

O=C(c1ccc(Cl)cc1)c1ccc(OCCCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.66
HTR1A P08908 1/20 0.66
DRD1 P21728 1/20 0.66
DRD5 P21918 1/20 0.66
HTR2A P28223 1/20 0.66
DRD3 P35462 1/20 0.66
HRH3 Q9Y5N1 12/20 0.64
HRH4 Q9H3N8 1/20 0.59
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MCHR1 Q99705 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 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
SCHEMBL7367224 0.84 HRH3 (0.81) HRH3HRH4KDM4EALDH1A1MEN1
SCHEMBL4746250 0.84 HRH3 (0.64) HRH3HRH4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7371901 0.83 HRH3 (0.79) HRH3HRH4KDM4EALDH1A1MEN1
SCHEMBL4743806 0.82 TMEM97 (0.63) HRH3HRH4KDM4EALDH1A1MEN1
SCHEMBL4746238 0.81 HRH3 (0.65) HRH3HRH4KDM4EALDH1A1MEN1
SCHEMBL4743140 0.81 HRH3 (0.65) DRD2HRH3HRH4KDM4EALDH1A1
SCHEMBL4746227 0.81 HRH3 (0.59) HRH3HRH4KDM4EALDH1A1
SCHEMBL4743805 0.80 KDM4E (0.69) HRH3HRH4KDM4EALDH1A1MEN1
SCHEMBL4743801 0.80 HRH3 (0.59) DRD2HRH3HRH4MEN1KMT2A
SCHEMBL4743298 0.80 HRH3 (0.59) HRH3HRH4KDM4EALDH1A1MEN1

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