SCHEMBL4743293

SCHEMBL4743293

CC(C)NC(=O)CN1CCN(CCCCOc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HRH3 Q9Y5N1 13/20 0.55
HRH1 P35367 1/20 0.55
HRH4 Q9H3N8 1/20 0.55
KCNA5 P22460 3/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
DRD2 P14416 1/20 0.53

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
SCHEMBL4743288 0.99 HRH3 (0.56) MEN1KMT2AHRH3HRH1HRH4
SCHEMBL4743111 0.99 HRH3 (0.56) MEN1KMT2AHRH3HRH1HRH4
SCHEMBL4746716 0.91 HRH3 (0.58) MEN1KMT2AHRH3KCNA5
SCHEMBL4745334 0.89 HRH3 (0.47) MEN1KMT2AHRH3HRH4KCNA5
SCHEMBL4744719 0.89 HRH3 (0.53) MEN1KMT2AHRH3KCNA5DRD2
SCHEMBL4746230 0.89 HRH3 (0.53) MEN1KMT2AHRH3KCNA5DRD2
SCHEMBL4745366 0.89 HRH4 (0.53) MEN1KMT2AHRH3HRH1HRH4
SCHEMBL4744692 0.89 KDM4E (0.51) MEN1KMT2AHRH3HRH4KCNA5
SCHEMBL4743291 0.89 HRH3 (0.48) MEN1KMT2AHRH3HRH4KCNA5
SCHEMBL4743334 0.88 HRH3 (0.55) MEN1KMT2AHRH3KCNA5

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