SCHEMBL27691737

SCHEMBL27691737

CC(=O)Oc1ccc2ccn(CC=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.48
▸ MTNR1B P49286 5/20 0.48
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ MCL1 Q07820 5/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PPARG P37231 2/20 0.40
▸ PPARD Q03181 2/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39

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
SCHEMBL28758520 0.80 MTNR1A (0.53) MTNR1AMTNR1BMAOAMAOBMCL1
SCHEMBL8801364 0.78 ALDH1A1 (0.52) MTNR1AMTNR1BMAOAMAOBMCL1
SCHEMBL6086725 0.77 HDAC8 (0.53) MTNR1AMTNR1BMAOAMAOBMCL1
SCHEMBL20072247 0.76 CYP2A6 (0.47) MTNR1AMTNR1BMAOAMAOBCA12
SCHEMBL27774875 0.76 MTNR1A (0.55) MTNR1AMTNR1BMAOAMAOBMCL1
Fumaric Acid SCHEMBL8001749 0.75 HTR2C (0.51) MTNR1AMTNR1BMAOAMAOBMCL1
SCHEMBL27927263 0.74 MCL1 (0.48) MCL1KDM4EPOLBPPARGPPARD
SCHEMBL14036317 0.73 PPARG (0.77) MCL1PPARGPPARDPPARA
SCHEMBL27657208 0.73 HDAC8 (0.48) MTNR1AMTNR1BMAOAMAOBHTR2A
SCHEMBL27730706 0.72 KDM4E (0.47) MTNR1AMTNR1BMAOAMAOBCA12

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-101048391-A Tetracyclic indole derivatives as antiviral agents ANGELETTI P IST RICHERCHE BIO (IT) 2007-10-03 — — CN disclosed
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