Sugi Predict

Sugi Predict / Compounds / SCHEMBL4746760

SCHEMBL4746760

SCHEMBL4746760

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.51
▸ HRH1 P35367 1/20 0.51
▸ KCNA5 P22460 3/20 0.50
▸ HRH4 Q9H3N8 1/20 0.50
▸ BCHE P06276 3/20 0.48
▸ ACHE P22303 3/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL4743300 0.93 HRH3 (0.57) HRH3HRH1HRH4BCHEACHE
SCHEMBL4745332 0.93 HRH3 (0.57) HRH3HRH1KCNA5HRH4DRD2
SCHEMBL4745363 0.84 HRH3 (0.56) HRH3KCNA5MEN1KMT2A
SCHEMBL4746202 0.84 MAOB (0.54) —
SCHEMBL4746694 0.83 LSS (0.55) HRH3HRH1DRD2MEN1KMT2A
SCHEMBL4746681 0.83 HRH3 (0.46) HRH3HRH1HRH4DRD2MEN1
SCHEMBL4747562 0.83 HRH3 (0.55) HRH3HRH1KCNA5HRH4DRD2
SCHEMBL4743813 0.83 HRH3 (0.55) HRH3HRH1HRH4DRD2MEN1
SCHEMBL4746206 0.83 HRH3 (0.57) HRH3MEN1KMT2A
SCHEMBL4745346 0.83 HRH3 (0.51) HRH3HRH1KCNA5HRH4BCHE

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