SCHEMBL7560309

SCHEMBL7560309

NCC(Cc1ccc(N=C=S)cc1)N(CCc1ccc(O)cc1)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.40
OPRD1 P41143 11/20 0.38
OPRK1 P41145 10/20 0.38
OPRM1 P35372 9/20 0.38
HSD17B10 Q99714 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
MIF P14174 1/20 0.34
SLC7A5 Q01650 1/20 0.34
MAOB P27338 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX12 P18054 1/20 0.32
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL7115577 0.86 OPRM1 (0.41) P2RY6OPRD1OPRK1OPRM1HSD17B10
SCHEMBL8533725 0.80 P2RY6 (0.40) P2RY6OPRD1OPRK1OPRM1HSD17B10
SCHEMBL9429585 0.77 HSD17B10 (0.39) P2RY6OPRD1HSD17B10MIFMAOB
SCHEMBL1743117 0.76 HSD17B10 (0.43) P2RY6OPRD1HSD17B10GRIN1GRIN2A
SCHEMBL29402282 0.76 HSD17B10 (0.43) P2RY6OPRD1HSD17B10GRIN1GRIN2A
SCHEMBL141450 0.74 HSD17B10 (0.39) P2RY6OPRD1HSD17B10MIFMAOB
SCHEMBL6550277 0.74 HSD17B10 (0.39) P2RY6OPRD1HSD17B10MIFMAOB
SCHEMBL6757638 0.74 HSD17B10 (0.39) P2RY6OPRD1HSD17B10MIFMAOB
SCHEMBL12847616 0.73 HSD17B10 (0.38) P2RY6OPRD1HSD17B10MAOBTP53
SCHEMBL5968018 0.72 P2RY6 (0.40) P2RY6OPRD1OPRK1OPRM1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219307-B1 Stable radioiodine conjugates and methods for their synthesis IMMUNOMEDICS INC (US) 2013-04-17 EP disclosed
EP-1024838-B1 STABLE RADIOIODINE CONJUGATES AND METHODS FOR THEIR SYNTHESIS IMMUNOMEDICS INC (US) 2002-07-10 EP disclosed
EP-1219307-A2 Stable radioiodine conjugates and methods for their synthesis Immunomedics Inc. (US) 2002-07-03 EP disclosed
EP-1024838-A1 STABLE RADIOIODINE CONJUGATES AND METHODS FOR THEIR SYNTHESIS Immunomedics, Inc. (US) 2000-08-09 EP disclosed
EP-0915710-A2 STABLE RADIOIODINE CONJUGATES AND METHODS FOR THEIR SYNTHESIS Immunomedics, Inc. (US) 1999-05-19 EP disclosed
WO-1999011294-A1 STABLE RADIOIODINE CONJUGATES AND METHODS FOR THEIR SYNTHESIS IMMUNOMEDICS, INC. (US) 1999-03-11 WO disclosed
WO-1998008548-A2 STABLE RADIOIODINE CONJUGATES AND METHODS FOR THEIR SYNTHESIS IMMUNOMEDICS, INC. (US) 1998-03-05 WO disclosed