SCHEMBL23100925

SCHEMBL23100925

CC(C)CCCCC(=O)NC1CC(C(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
CNR1 P21554 5/20 0.42
CNR2 P34972 5/20 0.42
TRPV1 Q8NER1 6/20 0.41
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
NCOR2 Q9Y618 1/20 0.39
EPHX2 P34913 1/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
KDM4C Q9H3R0 2/20 0.36
KDM4A O75164 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 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
SCHEMBL26445149 0.84 CNR2 (0.52) SMN1; SMN2CNR1CNR2HDAC3HDAC1
SCHEMBL26445143 0.84 CNR2 (0.52) SMN1; SMN2CNR1CNR2HDAC3HDAC1
SCHEMBL28342679 0.80 SMN1; SMN2 (0.72) SMN1; SMN2CNR1CNR2HDAC3HDAC1
SCHEMBL104430 0.78 SMN1; SMN2 (0.57) SMN1; SMN2CNR1CNR2HDAC3HDAC1
SCHEMBL24658764 0.75 CYP3A4 (0.32) SMN1; SMN2CNR1CNR2TRPV1
SCHEMBL26445188 0.75 CNR1 (0.52) SMN1; SMN2CNR1CNR2HDAC3HDAC1
SCHEMBL24848311 0.75 CNR1 (0.52) SMN1; SMN2CNR1CNR2HDAC3HDAC1
SCHEMBL26445139 0.73 SMN1; SMN2 (0.44) SMN1; SMN2CNR1CNR2HDAC3HDAC1
SCHEMBL26445141 0.73 SMN1; SMN2 (0.44) SMN1; SMN2CNR1CNR2HDAC3HDAC1
SCHEMBL13701266 0.72 SMN1; SMN2 (0.50) SMN1; SMN2CNR1CNR2TRPV1HDAC3

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
WO-2021050612-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY SYNCYTIAL VIRUS CIDARA THERAPEUTICS, INC. (US) 2021-03-18 WO disclosed