SCHEMBL4155278

SCHEMBL4155278

C[C@@H](c1c[c]ccc1)N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2D6 P10635 2/20 0.46
MC4R P32245 1/20 0.41
OPRD1 P41143 7/20 0.41
SLC6A4 P31645 5/20 0.40
SLC6A2 P23975 4/20 0.40
KCNH2 Q12809 1/20 0.37
CYP19A1 P11511 1/20 0.37
HTR6 P50406 2/20 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
SCHEMBL20899319 0.85 CYP2D6 (0.50) CHRM2CHRM1CYP2D6MC4ROPRD1
SCHEMBL1855362 0.80 CHRM2 (0.53) CHRM2CHRM1MEN1KMT2ACYP2D6
SCHEMBL3950480 0.79 CYP2D6 (0.73) CHRM2CHRM1MEN1KMT2ACYP2D6
SCHEMBL3956861 0.79 CYP2D6 (0.73) CHRM2CHRM1MEN1KMT2ACYP2D6
SCHEMBL42790 0.79 CYP2D6 (0.73) CHRM2CHRM1MEN1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL4813790 0.78 CYP2D6 (0.70) CHRM2CHRM1MEN1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL4811700 0.78 CYP2D6 (0.70) CHRM2CHRM1MEN1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL4470172 0.78 CYP2D6 (0.70) CHRM2CHRM1MEN1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL17272266 0.78 CYP2D6 (0.70) CHRM2CHRM1MEN1KMT2ACYP2D6
SCHEMBL11962936 0.73 CYP2D6 (0.37) CYP2D6MC4R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765327-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2009-06-17 EP disclosed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP disclosed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO disclosed