SCHEMBL8413697

SCHEMBL8413697

CCCCc1cn(Cc2ccc(-c3ccccc3C(=O)OC)cc2)c2ccccc2c1=S

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.53
AGTR2 P50052 4/20 0.53
ACHE P22303 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.45
F2RL3 Q96RI0 1/20 0.45
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NR4A2 P43354 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL8411067 0.90 AGTR1 (0.54) AGTR1AGTR2ACHELTB4R2F2RL3
SCHEMBL8327497 0.90 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8327498 0.83 ICMT (0.45) AGTR1AGTR2F2RL3HDAC10HDAC6
SCHEMBL8414576 0.81 AGTR1 (0.51) AGTR1AGTR2ACHELTB4R2
SCHEMBL8412385 0.80 AGTR1 (0.50) AGTR1AGTR2ACHECNR2
SCHEMBL8410082 0.79 AGTR1 (0.49) AGTR1AGTR2ACHELTB4R2
SCHEMBL8410857 0.79 AGTR1 (0.49) AGTR1AGTR2ACHELTB4R2
SCHEMBL8325939 0.79 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL8410125 0.79 AGTR1 (0.50) AGTR1AGTR2ACHELTB4R2SLC6A3
SCHEMBL8502142 0.77 ACHE (0.54) AGTR1AGTR2ACHELTB4R2

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-5985894-A USEFUL IN THE TREATMENT OF CARDIOVASCULAR ILLNESSES HOECHST MARION ROUSSEL (FR) 1999-11-16 US disclosed