SCHEMBL4745332

SCHEMBL4745332

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.57
HRH1 P35367 1/20 0.57
HRH4 Q9H3N8 1/20 0.57
KCNA5 P22460 3/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
DRD2 P14416 1/20 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
SCHEMBL4746760 0.93 HRH3 (0.51) HRH3HRH1HRH4KCNA5MEN1
SCHEMBL4747562 0.89 HRH3 (0.55) HRH3HRH1HRH4KCNA5MEN1
SCHEMBL4743288 0.89 HRH3 (0.56) HRH3HRH1HRH4KCNA5MEN1
SCHEMBL4743111 0.89 HRH3 (0.56) HRH3HRH1HRH4KCNA5MEN1
SCHEMBL4743293 0.87 MEN1 (0.56) HRH3HRH1HRH4KCNA5MEN1
SCHEMBL4746238 0.86 HRH3 (0.65) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL4745346 0.85 HRH3 (0.51) HRH3HRH1HRH4KCNA5MEN1
SCHEMBL20234777 0.85 KCNA5 (0.58) HRH3KCNA5
SCHEMBL4743300 0.85 HRH3 (0.57) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL4746245 0.84 HRH4 (0.59) HRH3HRH1HRH4KCNA5MEN1

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