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SCHEMBL4747599

SCHEMBL4747599

CC(=O)N(CCCCCN1CCN(CC(=O)NC(C)C)CC1)c1ccc(C(=O)c2ccc(Cl)cc2)cc1.CC(=O)N(c1ccc(Cl)cc1)c1ccc(OCCCCCN2CCN(CC(=O)N(C)C)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 12/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ BCHE P06276 3/20 0.40
▸ ACHE P22303 3/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ KCNA5 P22460 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL4743100 0.86 PSEN1 (0.41) HRH3HRH1
SCHEMBL4747605 0.85 HRH3 (0.39) HRH3HRH4BCHEACHEHRH1
SCHEMBL4743288 0.83 HRH3 (0.56) HRH3HRH4HRH1KCNA5MEN1
SCHEMBL4743111 0.83 HRH3 (0.56) HRH3HRH4HRH1KCNA5MEN1
SCHEMBL4747468 0.83 HRH3 (0.54) HRH3MEN1KMT2A
SCHEMBL4743293 0.82 MEN1 (0.56) HRH3HRH4HRH1KCNA5MEN1
SCHEMBL4743300 0.81 HRH3 (0.57) HRH3HRH4BCHEACHEHRH1
SCHEMBL4746760 0.80 HRH3 (0.51) HRH3HRH4BCHEACHEHRH1
SCHEMBL4747505 0.78 MAPT (0.42) HRH3HRH1
SCHEMBL4746716 0.76 HRH3 (0.58) HRH3KCNA5MEN1KMT2A

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 claimed