SCHEMBL9795113

SCHEMBL9795113

NCCCNC(=O)[C@H]1CC[C@H](O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.46
GNAO1 P09471 2/20 0.46
GNAI1 P63096 2/20 0.46
NAAA Q02083 1/20 0.45
CHRNB2 P17787 5/20 0.43
CHRNB4 P30926 5/20 0.43
CHRNA3 P32297 5/20 0.43
CHRNA4 P43681 5/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRM1 Q13255 2/20 0.43
KMT2A Q03164 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
PAOX Q6QHF9 2/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL9795120 1.00 GNAI3 (0.46) GNAI3GNAO1GNAI1NAAACHRNB2
SCHEMBL9795532 1.00 GNAI3 (0.46) GNAI3GNAO1GNAI1NAAACHRNB2
SCHEMBL3794825 0.92 GNAI3 (0.50) GNAI3GNAO1GNAI1NAAACHRNB2
SCHEMBL9795156 0.89 KMT2A (0.42) GNAI3GNAO1GNAI1NAAAKMT2A
SCHEMBL9795353 0.89 KMT2A (0.42) GNAI3GNAO1GNAI1NAAAKMT2A
SCHEMBL9795164 0.89 KMT2A (0.42) GNAI3GNAO1GNAI1NAAAKMT2A
SCHEMBL8352626 0.85 PLG (0.47) GNAI3GNAO1GNAI1NAAACHRNB2
SCHEMBL13432005 0.85 NAAA (0.56) GNAI3GNAO1GNAI1NAAACHRNB2
SCHEMBL16357639 0.85 NAAA (0.61) GNAI3GNAO1GNAI1NAAACHRNB2
SCHEMBL13300769 0.83 NAAA (0.64) GNAI3GNAO1GNAI1NAAACHRNB2

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-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed