SCHEMBL1808557

SCHEMBL1808557

c1ccc(C(CCCNC2CCNCC2)c2ccccc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.82
HTR2A P28223 2/20 0.49
HRH1 P35367 2/20 0.49
GNAI3 P08754 2/20 0.45
GNAO1 P09471 2/20 0.45
GNAI1 P63096 2/20 0.45
ALDH1A1 P00352 1/20 0.43
GABRA1 P14867 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
CXCR4 P61073 1/20 0.43
GRIN2B Q13224 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
GRIN1 Q05586 1/20 0.41

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
SCHEMBL3643057 0.78 SOS1 (0.77) SOS1HTR2AHRH1ALDH1A1
SCHEMBL9684908 0.78 GRIN2B (0.67) SOS1GRIN2BSIGMAR1GRIN1
SCHEMBL31119841 0.76 SOS1 (0.52) SOS1HTR2AHRH1GNAI3GNAO1
SCHEMBL6014477 0.74 SOS1 (0.50) SOS1HTR2AHRH1ALDH1A1GRIN2B
SCHEMBL7317273 0.73 GRIN2B (0.65) SOS1GRIN2BSIGMAR1GRIN1
SCHEMBL8682833 0.73 GNAI3 (0.67) SOS1GNAI3GNAO1GNAI1CXCR4
SCHEMBL6247785 0.73 GNAI3 (0.73) SOS1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL20648825 0.73 GNAI3 (0.58) SOS1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL8851760 0.71 SOS1 (0.58) SOS1GABRA1GABRG2GABRB3SIGMAR1
SCHEMBL3639265 0.71 SOS1 (0.67) SOS1HTR2AHRH1ALDH1A1

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
WO-2011060271-A1 SCREENING FOR INHIBITORS OF P. FALCIPARUM USING LUCIFERASE BASED HIGH THROUGHPUT SCREENING ASSAY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-05-19 WO disclosed
US-5883099-A TREATMENT OF ATHERSCLEROSIS, PANCREATITIS OBESITY OR HYPERGLYCEMIA BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-16 US disclosed
US-5789197-A GENETIC ENGINEERING E. R. SQUIBB & SONS, INC. (US) 1998-08-04 US disclosed
US-5739135-A PREVENTING OR TREATING ATHEROSCLEROSIS, PANCREATITIS SECONDARY TO HYPERTRIGLYCERIDEMIA, HYPERGLYCEMIA, OBESITY BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-14 US disclosed