SCHEMBL3434757

SCHEMBL3434757

CN1CCC(Cc2cccc(-c3cccc(CNC(N)c4cccc(-c5cccc(CC6CCN(C)CC6)c5)c4)c3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 2/20 0.46
▸ NR1D2 Q14995 1/20 0.44
▸ TAF1 P21675 1/20 0.43
▸ ACP1 P24666 2/20 0.39
▸ CARM1 Q86X55 2/20 0.37
▸ PRMT6 Q96LA8 2/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ HTR1A P08908 2/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ CASR P41180 1/20 0.36
▸ ACHE P22303 1/20 0.36

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
SCHEMBL3434754 0.78 NMT1 (0.51) NMT1NR1D2TAF1ACP1CARM1
SCHEMBL1363925 0.78 NMT1 (0.51) NMT1NR1D2TAF1ACP1CARM1
SCHEMBL19547078 0.73 NR1D2 (0.46) NMT1NR1D2TAF1CARM1PRMT6
SCHEMBL12140976 0.72 MEP1B (0.48) NMT1NR1D2TAF1
SCHEMBL17196558 0.72 AGXT (0.46) CASR
SCHEMBL17345718 0.72 AGXT (0.50) PRMT6HTR1ACASR
SCHEMBL17775505 0.72 AGXT (0.46) CASR
SCHEMBL1364691 0.70 NMT1 (0.52) NMT1
SCHEMBL11363491 0.69 FAAH (0.50) NMT1NR1D2TAF1CARM1PRMT6
SCHEMBL26324335 0.68 CASR (0.47) PRMT6HTR1ACASR

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
EP-2247184-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-10 — — EP disclosed
WO-2009100167-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 — — WO disclosed
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