SCHEMBL4743111

SCHEMBL4743111

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.56
HRH4 Q9H3N8 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HRH1 P35367 1/20 0.54
KCNA5 P22460 2/20 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 1.00 HRH3 (0.56) HRH3HRH4MEN1KMT2AHRH1
SCHEMBL4743293 0.99 MEN1 (0.56) HRH3HRH4MEN1KMT2AHRH1
SCHEMBL4746716 0.92 HRH3 (0.58) HRH3MEN1KMT2AKCNA5
SCHEMBL4745334 0.90 HRH3 (0.47) HRH3HRH4MEN1KMT2AKCNA5
SCHEMBL4744719 0.90 HRH3 (0.53) HRH3MEN1KMT2AKCNA5
SCHEMBL4746230 0.90 HRH3 (0.53) HRH3MEN1KMT2AKCNA5
SCHEMBL4745366 0.90 HRH4 (0.53) HRH3HRH4MEN1KMT2AHRH1
SCHEMBL4744692 0.90 KDM4E (0.51) HRH3HRH4MEN1KMT2AKCNA5
SCHEMBL4743291 0.90 HRH3 (0.48) HRH3HRH4MEN1KMT2AKCNA5
SCHEMBL4743334 0.89 HRH3 (0.55) HRH3MEN1KMT2AKCNA5

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