SCHEMBL25754079

SCHEMBL25754079

CC(C)NC(=O)N1CCN(C(=O)C(C)CN)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.50
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 2/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 1/20 0.42
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
CYP3A4 P08684 2/20 0.38
KMT2A Q03164 1/20 0.37
EPHX2 P34913 2/20 0.37
POLB P06746 1/20 0.36
CNR1 P21554 1/20 0.36
HSD17B10 Q99714 1/20 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
SCHEMBL23464918 0.81
SCHEMBL22916897 0.80 SMN1; SMN2 (0.58) SMN1; SMN2PKMCYP1A2CYP2C9ALDH1A1
SCHEMBL25129052 0.78 HSD17B10 (0.54) CYP1A2CYP2C19HRH2HRH1HSD17B10
SCHEMBL19072184 0.76 SMN1; SMN2 (0.58) SMN1; SMN2PKMCYP1A2CYP2C9ALDH1A1
SCHEMBL23331595 0.75 SMN1; SMN2 (0.67) SMN1; SMN2PKMCYP1A2CYP2C9ALDH1A1
SCHEMBL3009879 0.75 SMN1; SMN2 (0.67) SMN1; SMN2PKMCYP1A2CYP2C9ALDH1A1
SCHEMBL805882 0.74 PKM (0.60) SMN1; SMN2PKMCYP1A2CYP2C9ALDH1A1
SCHEMBL12448163 0.74 SMN1; SMN2 (0.60) SMN1; SMN2PKMCYP1A2CYP2C9ALDH1A1
SCHEMBL14934343 0.74 SMN1; SMN2 (0.60) SMN1; SMN2PKMCYP1A2CYP2C9ALDH1A1
SCHEMBL3120355 0.73 SMN1; SMN2 (0.64) SMN1; SMN2PKMCYP1A2CYP2C9ALDH1A1

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-20230203484-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed