SCHEMBL28291614

SCHEMBL28291614

CC(C)(C)c1ccc2[nH]c(CCOC=O)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.41
GPR84 Q9NQS5 1/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 2/20 0.36
IDH1 O75874 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
CYP26A1 O43174 2/20 0.34
CYP26B1 Q9NR63 2/20 0.34
KIF11 P52732 2/20 0.34
NR3C1 P04150 1/20 0.33
HTR1D P28221 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR1A P08908 1/20 0.32
HTR1B P28222 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
SCHEMBL28293148 0.89 GHSR (0.39) GHSRGPR84MTNR1AMTNR1BMAPT
SCHEMBL28038999 0.86 NR3C1 (0.39) MTNR1AMTNR1BIDH1LOXL2HRH3
SCHEMBL28072238 0.82 LOXL2 (0.54) MTNR1AMTNR1BMAPTLOXL2HRH3
SCHEMBL28672705 0.80 LOXL2 (0.58) GHSRMTNR1AMTNR1BMAPTMAPK1
SCHEMBL28038688 0.80 KDM4E (0.40) GPR84MTNR1AMTNR1BMAPTLOXL2
SCHEMBL27650372 0.79 CYP19A1 (0.39) MTNR1AMTNR1BLOXL2HRH3
SCHEMBL27697394 0.79 PCSK9 (0.42) GHSRMTNR1AMTNR1BMAPTNR3C1
SCHEMBL27613737 0.79 LOXL2 (0.54) MTNR1AMTNR1BIDH1MAPTLOXL2
SCHEMBL27648957 0.79 CYP2A6 (0.42) MTNR1AMTNR1BMAPTLOXL2HRH3
SCHEMBL28819115 0.77 MTNR1A (0.43) MTNR1AMTNR1BHRH3KIF11HTR1D

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