SCHEMBL8905598

SCHEMBL8905598

CCCCc1nc2ccc(C3=NNC(=O)CC3)cc2n1-c1ccc(-c2ccccc2)c(C(=O)O)c1C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.40
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
LMNA P02545 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8906593 0.95 GPR119 (0.41) GPR119MAPTMEN1HTTKMT2A
SCHEMBL8905734 0.93 GPR119 (0.42) GPR119MAPTMEN1HTTKMT2A
SCHEMBL8905548 0.84 GPR119 (0.37) GPR119MAPTMEN1HTTKMT2A
SCHEMBL8907335 0.82 PPARG (0.39) AGTR1AGTR2NPSR1PDE3AKDM4E
SCHEMBL8906713 0.81 AGTR1 (0.45) AGTR1AGTR2NPSR1PDE3AKDM4E
SCHEMBL8906575 0.81 AGTR2 (0.41) AGTR1AGTR2
SCHEMBL8906985 0.80 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8905963 0.79 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8906651 0.79 GPR119 (0.38) GPR119MAPTMEN1HTTKMT2A
SCHEMBL8905662 0.79 AGTR1 (0.39) AGTR1AGTR2MAPTNPSR1LMNA

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-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed