SCHEMBL13656171

SCHEMBL13656171

CC(C)CN1CCC2CCCC2C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.42
HRH3 Q9Y5N1 3/20 0.39
HTR7 P34969 7/20 0.38
HTR1A P08908 5/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
BIRC2 Q13490 1/20 0.38
HTR2A P28223 2/20 0.36
DRD2 P14416 1/20 0.36
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12153213 0.98 PIK3CD (0.44) PIK3CDHRH3HTR7HTR1AHRH1
SCHEMBL24841923 0.87 PIK3CD (0.54) PIK3CDHRH3BIRC2POLBCYP2D6
SCHEMBL13656173 0.87 PIK3CD (0.54) PIK3CDHRH3BIRC2POLBCYP2D6
SCHEMBL22318587 0.84 PIK3CD (0.42) PIK3CDHRH3BIRC2CYP2D6SMN1; SMN2
SCHEMBL24940791 0.84 PIK3CD (0.42) PIK3CDHRH3BIRC2CYP2D6SMN1; SMN2
SCHEMBL22305201 0.82 PIK3CD (0.41) PIK3CDHRH3HTR7HTR1AHRH1
SCHEMBL24940792 0.81 PIK3CD (0.40) PIK3CDHRH3BIRC2CYP2D6SMN1; SMN2
SCHEMBL22302061 0.81 PIK3CD (0.40) PIK3CDHRH3BIRC2CYP2D6SMN1; SMN2
SCHEMBL14706856 0.81 PIK3CD (0.45) PIK3CDHRH3CYP2D6SMN1; SMN2
SCHEMBL24841928 0.78 PIK3CD (0.58) PIK3CDHRH3CYP2D6SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed