SCHEMBL8533725

SCHEMBL8533725

NC(Cc1ccc(N=C=S)cc1)CN(CCc1ccc(O)cc1)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.40
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
SLC7A5 Q01650 1/20 0.37
OPRD1 P41143 7/20 0.36
OPRK1 P41145 7/20 0.36
OPRM1 P35372 3/20 0.36
HSD17B10 Q99714 1/20 0.36
KCNH2 Q12809 1/20 0.35
MIF P14174 1/20 0.35
ANPEP P15144 3/20 0.34
ERAP2 Q6P179 2/20 0.34
ERAP1 Q9NZ08 2/20 0.34
ENPEP Q07075 2/20 0.34
LAP3 P28838 1/20 0.34
LTA4H P09960 1/20 0.34
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL7205496 0.80 P2RY6 (0.53) P2RY6HSD17B10KCNH2TP53CYP1A2
SCHEMBL5968018 0.80 P2RY6 (0.40) P2RY6GRIN1GRIN2AGRIN2BOPRD1
SCHEMBL7560309 0.80 P2RY6 (0.40) P2RY6GRIN1GRIN2AGRIN2BSLC7A5
SCHEMBL141450 0.75 HSD17B10 (0.39) P2RY6OPRD1HSD17B10MIFTP53
SCHEMBL6550277 0.75 HSD17B10 (0.39) P2RY6OPRD1HSD17B10MIFTP53
SCHEMBL6757638 0.75 HSD17B10 (0.39) P2RY6OPRD1HSD17B10MIFTP53
SCHEMBL7115577 0.74 OPRM1 (0.41) P2RY6GRIN1GRIN2AGRIN2BOPRD1
SCHEMBL1743117 0.74 HSD17B10 (0.43) P2RY6GRIN1GRIN2AGRIN2BOPRD1
SCHEMBL29402282 0.74 HSD17B10 (0.43) P2RY6GRIN1GRIN2AGRIN2BOPRD1
SCHEMBL12847616 0.73 HSD17B10 (0.38) P2RY6OPRD1HSD17B10TP53CYP1A2

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-0915710-A2 STABLE RADIOIODINE CONJUGATES AND METHODS FOR THEIR SYNTHESIS Immunomedics, Inc. (US) 1999-05-19 EP disclosed
WO-1998008548-A2 STABLE RADIOIODINE CONJUGATES AND METHODS FOR THEIR SYNTHESIS IMMUNOMEDICS, INC. (US) 1998-03-05 WO disclosed