SCHEMBL1415422

SCHEMBL1415422

O=C1N(CO)CN(c2ccccc2)C12CCNCC2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
BDKRB2 P30411 1/20 0.52
OPRL1 P41146 13/20 0.48
OPRK1 P41145 12/20 0.48
OPRD1 P41143 11/20 0.48
OPRM1 P35372 10/20 0.48
NPC1L1 Q9UHC9 2/20 0.48

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
SCHEMBL5108598 0.87 OPRL1 (0.52) HSD17B10BDKRB2OPRL1OPRK1OPRD1
SCHEMBL173699 0.86 BDKRB2 (0.59) HSD17B10BDKRB2OPRL1OPRK1OPRD1
SCHEMBL11876831 0.86 OPRL1 (0.64) HSD17B10BDKRB2OPRL1OPRK1OPRD1
SCHEMBL5556302 0.85 OPRM1 (0.53) HSD17B10BDKRB2OPRL1OPRK1OPRD1
SCHEMBL12893390 0.84 BDKRB2 (0.74) HSD17B10BDKRB2OPRL1OPRK1OPRD1
SCHEMBL12668350 0.84 OPRK1 (0.52) HSD17B10BDKRB2OPRL1OPRK1OPRD1
SCHEMBL5782044 0.83 OPRK1 (0.66) HSD17B10BDKRB2OPRL1OPRK1OPRD1
SCHEMBL20187016 0.82 HSD17B10 (0.57) HSD17B10BDKRB2OPRL1OPRK1OPRD1
SCHEMBL20187220 0.81 OPRL1 (0.63) HSD17B10BDKRB2OPRL1OPRK1OPRD1
SCHEMBL1640719 0.81 OPRM1 (0.57) BDKRB2OPRL1OPRK1OPRD1OPRM1

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-2291075-A2 GASTRIN RELEASING PEPTIDE COMPOUNDS Bracco Imaging S.p.A (IT) 2011-03-09 EP disclosed
WO-2009143101-A2 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2009-11-26 WO disclosed