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SCHEMBL4747605

SCHEMBL4747605

CC(=O)N(CCCCCN1CCN(C(C(=O)NC(C)C)C(C(=O)N(C)C)N2CCN(CCCCCOc3ccc(N(C(C)=O)c4ccc(Cl)cc4)cc3)CC2)CC1)c1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 13/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ BCHE P06276 3/20 0.39
▸ ACHE P22303 3/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DRD2 P14416 1/20 0.37

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
SCHEMBL4747599 0.85 HRH3 (0.40) HRH3HRH4BCHEACHEHRH1
SCHEMBL4746765 0.81 HRH3 (0.48) HRH3HRH4BCHEACHEHRH1
SCHEMBL4746744 0.76 HRH3 (0.40) HRH3MEN1KMT2ADRD2
SCHEMBL4743100 0.76 PSEN1 (0.41) HRH3HRH1DRD2
SCHEMBL4743109 0.75 HRH3 (0.46) HRH3HRH4HRH1MEN1KMT2A
SCHEMBL4746668 0.73 DRD2 (0.40) HRH3DRD2
SCHEMBL4744061 0.72 SIGMAR1 (0.40) HRH3
SCHEMBL4743111 0.72 HRH3 (0.56) HRH3HRH4HRH1MEN1KMT2A
SCHEMBL4743288 0.72 HRH3 (0.56) HRH3HRH4HRH1MEN1KMT2A
SCHEMBL4747468 0.72 HRH3 (0.54) HRH3MEN1KMT2A

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