SCHEMBL28244347

SCHEMBL28244347

FC(F)(F)c1ccccc1-c1cccn1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CNR2 P34972 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
HSD11B1 P28845 2/20 0.37
KDM2B Q8NHM5 1/20 0.36
APLNR P35414 2/20 0.36
GALR1 P47211 1/20 0.35
SCD5 Q86SK9 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RBP4 P02753 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL30088795 0.74 PIK3CD (0.44) GAATDP1HSD11B1APLNR
SCHEMBL28606349 0.73 KCNH2 (0.44) GAAKDM4EALDH1A1HSD11B1
SCHEMBL28846380 0.70 HSD11B1 (0.51) HSD11B1
SCHEMBL8250269 0.70 SLC18A3 (0.43) KDM4EALDH1A1HSD11B1
SCHEMBL8505690 0.70 PTGES2 (0.37) ALDH1A1CYP1A2CYP2D6SMN1; SMN2
SCHEMBL12504926 0.68 GLA (0.39)
SCHEMBL8022901 0.68 HSD11B1 (0.54) TDP1ALDH1A1HSD11B1CYP1A2CYP2D6
SCHEMBL18939614 0.67 APLNR (0.58) APLNR
SCHEMBL28598700 0.67 GLA (0.41) ALDH1A1
SCHEMBL28918999 0.67 GCGR (0.40) KDM4EALDH1A1OPRM1OPRK1

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
CN-108602806-A Improved Ai Palin peptides receptor (APJ) agonist and application thereof 研究三角协会 2018-09-28 CN disclosed