SCHEMBL8875557

SCHEMBL8875557

O=S1(=O)NCCN1CCC1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 2/20 0.36
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
GNAI3 P08754 1/20 0.33
GNAI1 P63096 1/20 0.33
PER2 O15055 1/20 0.31
TPSAB1 Q15661 2/20 0.31
TPSD1 Q9BZJ3 2/20 0.31
TPSG1 Q9NRR2 2/20 0.31
NMT1 P30419 2/20 0.30
HTR5A P47898 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 1/20 0.30

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
Hydrochloric Acid SCHEMBL10910420 0.98 GNAO1 (0.39) GNAO1ITGB3ITGA2BGNAI3GNAI1
Hydrochloric Acid SCHEMBL10911783 0.89 GNAO1 (0.37) GNAO1ITGB3ITGA2BGNAI3GNAI1
SCHEMBL10911025 0.82 GBA1 (0.36) PER2CRY1CRY2
SCHEMBL10908296 0.78 GNAO1 (0.36) GNAO1ITGB3ITGA2BGNAI3GNAI1
SCHEMBL10910896 0.75 GNAO1 (0.36) GNAO1ITGB3ITGA2BGNAI3GNAI1
SCHEMBL10910844 0.73 GNAO1 (0.35) GNAO1ITGB3ITGA2BGNAI3GNAI1
Hydrochloric Acid SCHEMBL10910999 0.73 GNAO1 (0.38) GNAO1ITGB3ITGA2BGNAI3GNAI1
SCHEMBL13603770 0.73 CRY1 (0.37) PER2HTR5ACRY1CRY2
SCHEMBL10911604 0.72 PER2 (0.35) PER2CRY1CRY2
SCHEMBL10911568 0.72 GNAO1 (0.34) GNAO1GNAI3GNAI1NMT1

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-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed