SCHEMBL13761196

SCHEMBL13761196

CN1CCCC2CC(Cc3cccc(-c4cccc(CN)c4)c3)CC21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EED O75530 2/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ NMT1 P30419 2/20 0.36
▸ PRMT6 Q96LA8 1/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ CFD P00746 3/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC2A1 P11166 2/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34

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
SCHEMBL12140989 0.76 OPRM1 (0.43) OPRD1MAP4K1HTR1ASLC6A4
SCHEMBL1363925 0.76 NMT1 (0.51) MAP4K1NMT1PRMT6HTR1ASLC6A4
SCHEMBL3434754 0.76 NMT1 (0.51) MAP4K1NMT1PRMT6HTR1ASLC6A4
Hydrochloric Acid SCHEMBL1364491 0.75 OPRM1 (0.42) OPRD1MAP4K1SLC6A4
SCHEMBL12062836 0.72 BCHE (0.41) PRMT6CFDBCHEACHE
SCHEMBL13761198 0.67 GBA1 (0.57) EEDNMT1SLC6A4BCHEACHE
SCHEMBL1364179 0.67 FAAH (0.47) —
SCHEMBL13187336 0.67 CHRM3 (0.42) DRD2HTR1ASLC6A4CHRNB4CHRNA3
SCHEMBL12954023 0.67 CHRM3 (0.44) CHRNB4CHRNA3
SCHEMBL12954019 0.66 CHRM2 (0.33) DRD2

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-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 — — WO disclosed
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