SCHEMBL4743801

SCHEMBL4743801

CN(C)CCCN1CCN(CCCCCOc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.59
HRH1 P35367 1/20 0.59
HRH4 Q9H3N8 1/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
DRD2 P14416 1/20 0.56

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
SCHEMBL4745346 0.87 HRH3 (0.51) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL4746696 0.87 HRH3 (0.57) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL4743300 0.87 HRH3 (0.57) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL7367224 0.84 HRH3 (0.81) HRH3HRH4MEN1KMT2A
SCHEMBL4746250 0.84 HRH3 (0.64) HRH3HRH4
SCHEMBL4745330 0.84 HRH3 (0.60) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL4743140 0.84 HRH3 (0.65) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL4746238 0.84 HRH3 (0.65) HRH3HRH1HRH4MEN1KMT2A
Hydrochloric Acid SCHEMBL7371901 0.83 HRH3 (0.79) HRH3HRH4MEN1KMT2A
SCHEMBL4743813 0.83 HRH3 (0.55) HRH3HRH1HRH4MEN1KMT2A

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