SCHEMBL28069959

SCHEMBL28069959

CC(C)(C)OC(=O)Cc1ccc(CN)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.48
MTNR1B P49286 5/20 0.48
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
GFER P55789 1/20 0.40
NR1H2 P55055 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.35
SLC7A5 Q01650 1/20 0.34
CFD P00746 1/20 0.34
RIPK1 Q13546 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RORC P51449 1/20 0.32
RXRA P19793 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
SCHEMBL16410352 0.88 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1GAAGFER
SCHEMBL7590349 0.85 ALDH1A1 (0.49) MTNR1AMTNR1BALDH1A1GAAGFER
SCHEMBL6766157 0.83 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1GAAGFER
SCHEMBL16410216 0.82 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1SMN1; SMN2ALOX15
SCHEMBL16410342 0.81 MTNR1A (0.47) MTNR1AMTNR1BRIPK1RORC
SCHEMBL16410202 0.79 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1GAAKDM4E
SCHEMBL5866843 0.79 LOXL2 (0.46) MTNR1AMTNR1BALDH1A1NR1H2LOXL2
SCHEMBL20424475 0.79 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1GAAGFER
SCHEMBL15432956 0.77 SLC7A5 (0.48) MTNR1AMTNR1BALDH1A1NR1H2LOXL2
SCHEMBL7591321 0.77 MTNR1A (0.39) MTNR1AMTNR1BALDH1A1GAAGFER

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-105555766-A Aminomethyl-biaryl derivatives as complement factor D inhibitors and uses thereof NOVARTIS AG 2016-05-04 CN disclosed