SCHEMBL20101355

SCHEMBL20101355

COc1ccc2ncc(CC(=O)NCCCCOP(=O)(OC)OC)c(-c3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.44
MTNR1B P49286 8/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 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
SCHEMBL20101409 0.88 TACR1 (0.39) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL17955289 0.88 MTNR1A (0.42) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL17955301 0.87 MTNR1A (0.41) MTNR1AMTNR1BMAPTHDAC1HDAC6
SCHEMBL17954339 0.86 MTNR1A (0.49) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL17955298 0.85 MTNR1A (0.42) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL20375671 0.79 MTNR1A (0.36) MTNR1AMTNR1BKDM4EALDH1A1LMNA
SCHEMBL16624688 0.78 ALDH1A1 (0.50) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL17954338 0.77 ALDH1A1 (0.49) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL17955270 0.76 TERT (0.41) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL17955300 0.75 TERT (0.42) MEN1KMT2ALMNA

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
EP-3052107-B1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS AG (CH) 2018-05-02 EP disclosed