SCHEMBL5090089

SCHEMBL5090089

OCCNc1cc(N2CCCC2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.55
HRH3 Q9Y5N1 2/20 0.55
HRH2 P25021 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PIK3CB P42338 1/20 0.47
EGFR P00533 1/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL5031512 0.88 PIK3CB (0.62) HRH4HRH3HRH2SMN1; SMN2NPSR1
SCHEMBL1774192 0.80 HRH4 (0.54) HRH4HRH3HRH2NPSR1EGFR
SCHEMBL2948693 0.79 HRH4 (0.55) HRH4HRH3HRH2SMN1; SMN2RAB9A
SCHEMBL9215848 0.78 HRH4 (0.56) HRH4SMN1; SMN2ALDH1A1POLB
SCHEMBL17623030 0.78 HRH4 (0.52) HRH4HRH3HRH2SMN1; SMN2RAB9A
SCHEMBL27741348 0.78 NPSR1 (0.42) HRH4HRH3HRH2NPSR1EGFR
SCHEMBL28776132 0.78 NPSR1 (0.42) HRH4HRH3HRH2NPSR1EGFR
SCHEMBL5144566 0.76 NUDT1 (0.56) HRH4HRH3HRH2SMN1; SMN2RAB9A
SCHEMBL3819188 0.76 SMN1; SMN2 (0.51) HRH4HRH3HRH2SMN1; SMN2RAB9A
SCHEMBL7514947 0.76 HRH4 (0.76) HRH4SMN1; SMN2PIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101438288-A Regulation of phosphoryl transferase activity of glutamine synthetase CSIR CORP (ZA) 2009-05-20 CN disclosed
EP-2008210-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2008-12-31 EP disclosed
WO-2007105023-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2007-09-20 WO disclosed
WO-2007105023-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2007-09-20 WO disclosed