SCHEMBL30740445

SCHEMBL30740445

Cn1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.41
RAB9A P51151 1/20 0.41
HSD11B1 P28845 1/20 0.41
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CACNA1B Q00975 4/20 0.38
KIF11 P52732 1/20 0.38
SLC6A4 P31645 3/20 0.37
HTR2A P28223 2/20 0.37
KCNH2 Q12809 2/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
S1PR1 P21453 1/20 0.37
LTA4H P09960 1/20 0.37
PPARG P37231 1/20 0.36
SCN9A Q15858 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
SCHEMBL21225577 1.00 RHEB (0.56) RHEBL3MBTL1RAB9AHSD11B1MAPT
SCHEMBL23709588 0.84 RHEB (0.67) RHEBL3MBTL1HSD11B1MAPTLMNA
SCHEMBL1137574 0.80 RHEB (0.56) RHEBHSD11B1MAPTLMNANPSR1
SCHEMBL7964114 0.79 RHEB (0.77) RHEBHSD11B1MAPTNR1H2NR1H3
SCHEMBL1138102 0.77 RHEB (0.64) RHEBMAPTLMNASLC6A4HTR2A
SCHEMBL1137550 0.75 RHEB (0.57) RHEBMAPTLMNA
SCHEMBL23709599 0.75 RHEB (0.61) RHEBMAPTSLC6A4HTR2A
SCHEMBL23408944 0.74 RHEB (0.47) RHEBL3MBTL1HSD11B1SLC6A4NR1H2
SCHEMBL1138270 0.73 RHEB (0.52) RHEBHSD11B1SLC6A4HTR2AKCNH2
SCHEMBL1137699 0.73 RHEB (0.59) RHEBHSD11B1MAPTSLC6A4HTR2A

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-111936138-B Heterobicyclic compounds as EP4 receptor antagonists 深圳市原力生命科学有限公司 2024-03-08 CN disclosed