SCHEMBL13745554

SCHEMBL13745554

CCCCSCCCNC(=O)C1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.53
GNAO1 P09471 3/20 0.53
GNAI1 P63096 3/20 0.53
GAA P10253 1/20 0.51
NAAA Q02083 1/20 0.50
THRB P10828 1/20 0.49
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.45
CYP3A4 P08684 1/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL13745305 0.88 GAA (0.62) GNAI3GNAO1GNAI1GAANAAA
SCHEMBL24098152 0.86 GNAI3 (0.68) GNAI3GNAO1GNAI1GAANAAA
SCHEMBL22340815 0.85 GNAI3 (0.70) GNAI3GNAO1GNAI1GAANAAA
SCHEMBL12021613 0.81 KDM4E (0.55) GNAI3GNAO1GNAI1GAANAAA
SCHEMBL3436777 0.79 GNAI3 (0.50) GNAI3GNAO1GNAI1GAANAAA
SCHEMBL15624788 0.77 GNAI3 (0.59) GNAI3GNAO1GNAI1GAANAAA
SCHEMBL13368228 0.77 GNAI3 (0.52) GNAI3GNAO1GNAI1GAANAAA
SCHEMBL14818931 0.77 GNAI3 (0.52) GNAI3GNAO1GNAI1GAANAAA
SCHEMBL13745660 0.77 TSHR (0.72) GNAI3GNAO1GNAI1GAAMAPT
SCHEMBL24098112 0.76 GNAI3 (0.48) GNAI3GNAO1GNAI1GAANAAA

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-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO disclosed