SCHEMBL6063290

SCHEMBL6063290

CCCOC(=O)C1CCNC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
TSHR P16473 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA4 P48169 1/20 0.36

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
SCHEMBL1949239 0.90 SLC6A1 (0.50) PPM1BPTPN1PPP1CCMAPTTSHR
SCHEMBL30376402 0.90 GNAI3 (0.42) MAPTPKMGNAI3GNAO1GNAI1
SCHEMBL3002273 0.90 GNAI3 (0.42) MAPTPKMGNAI3GNAO1GNAI1
SCHEMBL294366 0.89 PPM1B (0.47) PPM1BPTPN1PPP1CCMAPTGNAI3
Hydrochloric Acid SCHEMBL28953272 0.87 PPM1B (0.46) PPM1BPTPN1PPP1CCMAPTGNAI3
SCHEMBL11848695 0.87 GNAI3 (0.47) GNAI3GNAO1GNAI1TSHRSMN1; SMN2
SCHEMBL13610202 0.87 GNAI3 (0.47) GNAI3GNAO1GNAI1TSHRSMN1; SMN2
SCHEMBL2235927 0.85 MAPT (0.49) MAPTPKMTSHRGABRA5GABRB2
SCHEMBL12994147 0.85 MAPT (0.49) MAPTPKMTSHRGABRA5GABRB2
SCHEMBL8224141 0.85 MAPT (0.49) MAPTPKMTSHRGABRA5GABRB2

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
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed