SCHEMBL887952

SCHEMBL887952

O=C(O)CN1CCN(CC(=O)O)CCN(Cc2cccc(N=C=S)c2)CCN(CC(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.47
ALDH1A1 P00352 5/20 0.45
SIGMAR1 Q99720 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 2/20 0.41
NOS1 P29475 1/20 0.41
FAAH O00519 1/20 0.41
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL30096951 0.88 OPRD1 (0.43) OPRD1ALDH1A1SIGMAR1CYP2D6CYP2C9
SCHEMBL8038145 0.84 GRIN1 (0.48) OPRD1ALDH1A1CYP2D6MAPK1LMNA
SCHEMBL16656265 0.84 GRIN1 (0.48) OPRD1ALDH1A1CYP2D6MAPK1LMNA
SCHEMBL17641099 0.82 OPRD1 (0.46) OPRD1ALDH1A1CYP2D6HIF1AMEN1
SCHEMBL15855012 0.80 HSD17B10 (0.48) ALDH1A1HIF1ASMN1; SMN2NOS1MAPT
SCHEMBL14312212 0.78 SIGMAR1 (0.46) OPRD1ALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL11630471 0.76 OPRD1 (0.49) OPRD1ALDH1A1HIF1AMEN1KMT2A
SCHEMBL21044023 0.75 ALDH1A1 (0.72) ALDH1A1SIGMAR1CYP2D6CYP2C9MEN1
SCHEMBL2717435 0.75 ALDH1A1 (0.72) ALDH1A1SIGMAR1CYP2D6CYP2C9MEN1
SCHEMBL8033956 0.75 ALDH1A1 (0.72) ALDH1A1SIGMAR1CYP2D6CYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212652-A1 Luminescence hybridisation assay method OY ARCTIC PARTNERS AB (FI) 2023-07-06 US disclosed
EP-4093881-A1 LUMINESCENCE HYBRIDISATION ASSAY METHOD Iptomics Oy (FI) 2022-11-30 EP disclosed
WO-2021148717-A1 LUMINESCENCE HYBRIDISATION ASSAY METHOD IPTOMICS OY (FI) 2021-07-29 WO disclosed
EP-2411809-B1 LUMINESCENCE ASSAY METHOD OY ARCTIC PARTNERS AB (FI) 2017-05-10 EP disclosed
EP-3030677-A1 DIAGNOSTIC METHODS OF DETECTING BACTERIA RESISTANT TO BETA-LACTAM ANTIBIOTICS Turun yliopisto (FI) 2016-06-15 EP disclosed
US-8993246-B2 Luminescence assay method OY ARCTIC PARTNERS AB (FI) 2015-03-31 US disclosed
US-8993246-B2 Luminescence assay method OY ARCTIC PARTNERS AB (FI) 2015-03-31 US disclosed
WO-2015018980-A1 DIAGNOSTIC METHODS OF DETECTING BACTERIA RESISTANT TO BETA-LACTAM ANTIBIOTICS TURUN YLIOPISTO (FI) 2015-02-12 WO disclosed
US-20120009566-A1 LUMINESCENCE ASSAY METHOD OY ARCTIC PARTNERS AB C/O TIMO LOVGREN (FI) 2012-01-12 US disclosed