SCHEMBL8044320

SCHEMBL8044320

CCCc1nc(SC2CCC(CC(=O)OCC)CC2)c(C(=O)OCC)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.74
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
AGTR1 P30556 2/20 0.32
AGTR2 P50052 2/20 0.32
CYP19A1 P11511 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
SIRT2 Q8IXJ6 2/20 0.32
SIRT1 Q96EB6 1/20 0.32

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
SCHEMBL3835410 0.94 EDNRA (0.84) EDNRALMNATDP1SMN1; SMN2KDM4E
SCHEMBL8435770 0.85 EDNRA (0.60) EDNRASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL795817 0.85 EDNRA (1.00) EDNRASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL8046901 0.85 EDNRA (0.61) EDNRASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL12994134 0.83 EDNRA (0.88) EDNRASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL8046894 0.83 EDNRA (0.57) EDNRALMNATDP1SMN1; SMN2KDM4E
SCHEMBL8045593 0.80 EDNRA (0.51) EDNRALMNATDP1SMN1; SMN2KDM4E
SCHEMBL8052641 0.80 EDNRA (0.54) EDNRASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL3834405 0.80 EDNRA (0.81) EDNRASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL8432726 0.80 EDNRA (0.54) EDNRASMN1; SMN2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143774-A DRUGS AS HYPOTENSIVE AGENTS HOECHST MARION ROUSSEL (FR) 2000-11-07 US disclosed