SCHEMBL27986982

SCHEMBL27986982

CCCC(=O)OCCC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 3/20 0.43
GNAI3 P08754 2/20 0.43
GNAI1 P63096 2/20 0.43
ITGB3 P05106 10/20 0.40
ITGA2B P08514 10/20 0.40
DGKA P23743 1/20 0.38
SLC6A1 P30531 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRB2 P47870 2/20 0.37
SLC6A12 P48065 2/20 0.37
SLC6A11 P48066 2/20 0.37
SLC6A13 Q9NSD5 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRR1 P24046 1/20 0.37
GABRA4 P48169 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ITGAV P06756 1/20 0.35
CHRM2 P08172 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL27848507 0.90 SLC6A1 (0.46) GNAO1GNAI3GNAI1ITGB3ITGA2B
SCHEMBL8556452 0.87 GNAI3 (0.43) GNAO1GNAI3GNAI1ITGB3ITGA2B
SCHEMBL7418656 0.86 NAAA (0.40) GNAO1GNAI3GNAI1ITGB3ITGA2B
SCHEMBL27627251 0.85 ITGB3 (0.39) GNAO1GNAI3GNAI1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7418650 0.85 GNAO1 (0.41) GNAO1GNAI3GNAI1ITGB3ITGA2B
SCHEMBL28326632 0.84 SMN1; SMN2 (0.44) DGKAALDH1A1
SCHEMBL8554955 0.84 GNAI3 (0.45) GNAO1GNAI3GNAI1ITGB3ITGA2B
SCHEMBL8162908 0.84 GNAO1 (0.48) GNAO1GNAI3GNAI1ITGB3ITGA2B
SCHEMBL29948344 0.83 ITGB3 (0.49) ITGB3ITGA2BSLC6A1GABRA5GABRB2
SCHEMBL28213436 0.83 ITGB3 (0.40) GNAO1GNAI3GNAI1ITGB3ITGA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102427853-B Protease Inhibitors ORION CORP 2014-11-05 CN disclosed
CN-102427853-A Protease Inhibitors ORION CORP 2012-04-25 CN disclosed