SCHEMBL7366925

SCHEMBL7366925

[CH2]OC(C)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
TSHR P16473 2/20 0.44
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 2/20 0.42
KCNA5 P22460 6/20 0.42
KCNH2 Q12809 1/20 0.42
KCNE1 P15382 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2D6 P10635 1/20 0.40
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7449284 0.83 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4TSHRCYP3A4
SCHEMBL18513573 0.81 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4TSHRCYP3A4
SCHEMBL14768852 0.81 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4TSHRCYP3A4
SCHEMBL29543279 0.81 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4TSHRCYP3A4
SCHEMBL1753813 0.81 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4TSHRCYP3A4
SCHEMBL18513572 0.79 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4TSHRCYP3A4
SCHEMBL5014425 0.79 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4TSHRCYP3A4
SCHEMBL7355983 0.79 CYP3A4 (0.50) SLC6A3SLC6A2SLC6A4TSHRCYP3A4
SCHEMBL12125671 0.79 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4TSHRCYP3A4
SCHEMBL13140945 0.79 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832082-B1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ASTRAZENECA AB (SE) 2001-11-21 EP claimed
EP-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP claimed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 WO claimed