SCHEMBL13745305

SCHEMBL13745305

CCCCNC(=O)C1CCN(C)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
GNAI3 P08754 3/20 0.61
GNAO1 P09471 3/20 0.61
GNAI1 P63096 3/20 0.61
NAAA Q02083 1/20 0.58
KDM4E B2RXH2 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
TSHR P16473 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.49

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
SCHEMBL24098152 0.95 GNAI3 (0.68) GAAGNAI3GNAO1GNAI1NAAA
SCHEMBL22340815 0.93 GNAI3 (0.70) GAAGNAI3GNAO1GNAI1NAAA
SCHEMBL12021613 0.89 KDM4E (0.55) GAAGNAI3GNAO1GNAI1NAAA
SCHEMBL13745554 0.88 GNAI3 (0.53) GAAGNAI3GNAO1GNAI1NAAA
SCHEMBL3436777 0.86 GNAI3 (0.50) GAAGNAI3GNAO1GNAI1NAAA
SCHEMBL1679331 0.85 NAAA (0.70) GAAGNAI3GNAO1GNAI1NAAA
SCHEMBL15624788 0.85 GNAI3 (0.59) GAAGNAI3GNAO1GNAI1NAAA
SCHEMBL13368228 0.85 GNAI3 (0.52) GAAGNAI3GNAO1GNAI1NAAA
SCHEMBL14818931 0.85 GNAI3 (0.52) GAAGNAI3GNAO1GNAI1NAAA
SCHEMBL13745660 0.84 TSHR (0.72) GAAGNAI3GNAO1GNAI1KDM4E

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