SCHEMBL3649875

SCHEMBL3649875

CCCCNC(=O)c1cccc(CN2CCNCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.67
SMN1; SMN2 Q16637 1/20 0.59
PRMT5 O14744 1/20 0.54

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
SCHEMBL1017905 0.80 CHRM3 (0.61) CHRM3PRMT5
SCHEMBL1020291 0.79 CHRM3 (0.61) CHRM3PRMT5
SCHEMBL1020290 0.79 CHRM3 (0.61) CHRM3PRMT5
Hydrochloric Acid SCHEMBL1018725 0.79 CHRM3 (0.60) CHRM3
SCHEMBL7037977 0.79 CHRM3 (0.69) CHRM3
SCHEMBL1512308 0.78 CHRM3 (0.72) CHRM3SMN1; SMN2
SCHEMBL1019239 0.78 KMT2A (0.58) CHRM3
SCHEMBL12725260 0.77 CHRM3 (1.00) CHRM3
SCHEMBL3645530 0.77 SMN1; SMN2 (0.77) SMN1; SMN2
SCHEMBL28744419 0.77 CYP2D6 (0.73) CHRM3SMN1; SMN2

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-2190827-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. Organon (NL) 2010-06-02 EP disclosed
WO-2009024550-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. ORGANON (NL) 2009-02-26 WO disclosed