SCHEMBL4746213

SCHEMBL4746213

O=C(CN1CCN(CCCCCOc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1)NCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.57
KCNA5 P22460 2/20 0.55
ACHE P22303 5/20 0.54
BCHE P06276 4/20 0.54
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HRH3 Q9Y5N1 7/20 0.52
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HRH1 P35367 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
FAAH O00519 1/20 0.49

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
SCHEMBL4746245 0.91 HRH4 (0.59) HRH4KCNA5ACHEBCHEKDM4E
SCHEMBL4747562 0.84 HRH3 (0.55) HRH4KCNA5HRH3HRH1MEN1
SCHEMBL4745346 0.84 HRH3 (0.51) HRH4KCNA5ACHEBCHEHRH3
SCHEMBL4743805 0.84 KDM4E (0.69) HRH4ACHEBCHEKDM4EALDH1A1
SCHEMBL4745332 0.82 HRH3 (0.57) HRH4KCNA5HRH3HRH1MEN1
SCHEMBL4746238 0.82 HRH3 (0.65) HRH4KDM4EALDH1A1HRH3HRH1
SCHEMBL4743111 0.80 HRH3 (0.56) HRH4KCNA5HRH3HRH1MEN1
SCHEMBL4743288 0.80 HRH3 (0.56) HRH4KCNA5HRH3HRH1MEN1
SCHEMBL4743293 0.79 MEN1 (0.56) HRH4KCNA5KDM4EALDH1A1HRH3
SCHEMBL20234800 0.78 KCNA5 (0.48) KCNA5ACHEKDM4EALDH1A1HRH3

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 claimed