SCHEMBL28293148

SCHEMBL28293148

CC(C)(C)c1ccc2cc(CCOC=O)[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.39
GPR84 Q9NQS5 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SCN10A Q9Y5Y9 8/20 0.34
KIF11 P52732 3/20 0.34
KCNH2 Q12809 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
METAP2 P50579 1/20 0.33
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL28291614 0.89 GHSR (0.41) GHSRGPR84MTNR1AMTNR1BMAPT
SCHEMBL28072258 0.82 MAPT (0.43) MTNR1AMTNR1BMAPT
SCHEMBL28929782 0.80 MTNR1A (0.57) GHSRMTNR1AMTNR1BMAPTMAPK1
SCHEMBL27550869 0.79 DAO (0.42) MTNR1AMTNR1BKCNH2
SCHEMBL28787309 0.79 MTNR1A (0.36) MTNR1AMTNR1BMAPT
SCHEMBL28658782 0.79 DAO (0.42) GHSRMTNR1AMTNR1BNR3C1PGR
SCHEMBL28687273 0.77 MTNR1A (0.43) MTNR1AMTNR1BMAPTKIF11
SCHEMBL27488329 0.77 LOXL2 (0.50) MTNR1AMTNR1B
SCHEMBL28291596 0.77 MTNR1A (0.37) MTNR1AMTNR1B
SCHEMBL27792587 0.77 GAA (0.39) MTNR1AMTNR1B

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-109748840-A A kind of synthetic method of 2- substituted indole derivative 中国医学科学院药物研究所 2019-05-14 CN disclosed