SCHEMBL5761963

SCHEMBL5761963

CCN1CCC(OC2=CC[CH]C=C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.44
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
CHRM3 P20309 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL2478239 0.84 SLC6A4 (0.33)
SCHEMBL188649 0.83 HRH3 (0.40) HRH3CHRM3SMN1; SMN2
SCHEMBL189066 0.78 MRGPRX2 (0.36) HRH3CHRM3
SCHEMBL693535 0.77 IKBKB (0.39)
SCHEMBL2481875 0.69 SLC6A4 (0.32)
SCHEMBL15323562 0.68 LTA4H (0.36) GAA
SCHEMBL17308547 0.67 HRH3 (0.68) HRH3SMN1; SMN2GAA
SCHEMBL2476107 0.66 CHRNA7 (0.42) HRH3SMN1; SMN2GAA
SCHEMBL8391744 0.66 HRH3 (0.67) HRH3CARM1PRMT6SMN1; SMN2GAA
SCHEMBL4587168 0.65

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-1622611-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
WO-2004096213-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO disclosed