SCHEMBL1029617

SCHEMBL1029617

O=C(O)Cc1cccc(N2CNC(=O)C23CCNCC3)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.64
OPRK1 P41145 8/20 0.51
OPRL1 P41146 7/20 0.51
OPRM1 P35372 7/20 0.51
OPRD1 P41143 6/20 0.51
SLC6A3 Q01959 3/20 0.48
HTR1A P08908 2/20 0.48
HTR2C P28335 2/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM2 P08172 2/20 0.47
ADRB1 P08588 2/20 0.47
DRD2 P14416 2/20 0.47
ADRA1A P35348 2/20 0.47
HRH1 P35367 2/20 0.47
ADRA1B P35368 2/20 0.47
DRD3 P35462 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
CACNA1F O60840 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1D P25100 1/20 0.47

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
SCHEMBL219618 0.79 HSD17B10 (1.00) HSD17B10OPRK1OPRL1OPRM1OPRD1
SCHEMBL7587764 0.79 HSD17B10 (1.00) HSD17B10OPRK1OPRL1OPRM1OPRD1
Ammonia Solution, Strong SCHEMBL1764035 0.78 HSD17B10 (0.97) HSD17B10OPRK1OPRL1OPRM1OPRD1
Hydrochloric Acid SCHEMBL6160546 0.78 HSD17B10 (0.97) HSD17B10OPRK1OPRL1OPRM1OPRD1
SCHEMBL11878938 0.78 HSD17B10 (0.70) HSD17B10OPRK1OPRL1OPRM1OPRD1
SCHEMBL7842659 0.78 HSD17B10 (0.70) HSD17B10OPRK1OPRL1OPRM1OPRD1
SCHEMBL3863096 0.76 HSD17B10 (0.67) HSD17B10OPRK1OPRL1OPRM1OPRD1
SCHEMBL3863396 0.75 HSD17B10 (0.65) HSD17B10OPRK1OPRL1OPRM1OPRD1
SCHEMBL13543072 0.73 HSD17B10 (0.55) HSD17B10OPRK1OPRL1OPRM1OPRD1
SCHEMBL23256393 0.72 ITGB3 (0.60) HSD17B10HTR1AHTR2CADRB1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898962-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS Bracco Imaging, S.P.A. (IT) 2008-03-19 EP claimed
WO-2007002500-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2007-01-04 WO claimed
EP-2291075-A2 GASTRIN RELEASING PEPTIDE COMPOUNDS Bracco Imaging S.p.A (IT) 2011-03-09 EP disclosed
EP-2274328-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION Fibrex Medical Research & Development GmbH (AT) 2011-01-19 EP disclosed
WO-2009143101-A2 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2009-11-26 WO disclosed
WO-2009137850-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2009-11-19 WO disclosed