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SCHEMBL4746747

SCHEMBL4746747

CC(C)NC(=O)CN1CCN(CCCCCOc2ccc(/C(=C\c3ccccc3)c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PSMB1 P20618 1/20 0.52
▸ PSMB5 P28074 1/20 0.52
▸ PSMB2 P49721 1/20 0.52
▸ KCNA5 P22460 3/20 0.52
▸ HRH3 Q9Y5N1 13/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HRH4 Q9H3N8 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
SCHEMBL4746749 1.00 PSMB1 (0.52) PSMB1PSMB5PSMB2KCNA5HRH3
SCHEMBL4746751 0.97 KCNA5 (0.51) PSMB1PSMB5PSMB2KCNA5HRH3
SCHEMBL4743288 0.86 HRH3 (0.56) KCNA5HRH3MEN1KMT2AHRH4
SCHEMBL4743111 0.86 HRH3 (0.56) KCNA5HRH3MEN1KMT2AHRH4
SCHEMBL4745390 0.86 HRH3 (0.50) KCNA5HRH3MEN1KMT2A
SCHEMBL4745392 0.86 HRH3 (0.50) KCNA5HRH3MEN1KMT2A
SCHEMBL4743293 0.85 MEN1 (0.56) KCNA5HRH3MEN1KMT2AHRH4
SCHEMBL4747584 0.85 HRH3 (0.47) KCNA5HRH3MEN1KMT2A
SCHEMBL4746716 0.84 HRH3 (0.58) KCNA5HRH3MEN1KMT2A
SCHEMBL4746230 0.83 HRH3 (0.53) KCNA5HRH3MEN1KMT2A

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