SCHEMBL4745330

SCHEMBL4745330

CC(C)(C(=O)O)N1CCN(CCCCCOc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.60
HRH4 Q9H3N8 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
HRH1 P35367 1/20 0.57
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
DRD2 P14416 1/20 0.54
BCHE P06276 3/20 0.54
ACHE P22303 3/20 0.54

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
SCHEMBL4746253 0.86 HRH3 (0.53) HRH3HRH4MEN1KMT2AHRH1
SCHEMBL4743801 0.84 HRH3 (0.59) HRH3HRH4MEN1KMT2AHRH1
SCHEMBL4743140 0.84 HRH3 (0.65) HRH3HRH4MEN1KMT2AHRH1
SCHEMBL4746238 0.84 HRH3 (0.65) HRH3HRH4MEN1KMT2AHRH1
SCHEMBL7367224 0.83 HRH3 (0.81) HRH3HRH4MEN1KMT2AKDM4E
SCHEMBL4743300 0.83 HRH3 (0.57) HRH3HRH4MEN1KMT2AHRH1
SCHEMBL4743805 0.82 KDM4E (0.69) HRH3HRH4MEN1KMT2AHRH1
Hydrochloric Acid SCHEMBL7371901 0.82 HRH3 (0.79) HRH3HRH4MEN1KMT2AKDM4E
SCHEMBL4745332 0.80 HRH3 (0.57) HRH3HRH4MEN1KMT2AHRH1
SCHEMBL4746696 0.80 HRH3 (0.57) HRH3HRH4MEN1KMT2AHRH1

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