SCHEMBL28291358

SCHEMBL28291358

CC(C)(C)C(=O)ON1CCC(C2CCNCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 7/20 0.40
GNAO1 P09471 6/20 0.40
GNAI1 P63096 6/20 0.40
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR119 Q8TDV5 4/20 0.33
ITGB3 P05106 3/20 0.32
ITGA2B P08514 3/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
GABRA1 P14867 2/20 0.31
TSHR P16473 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31

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
SCHEMBL28289844 0.92 GNAI3 (0.38) GNAI3GNAO1GNAI1L3MBTL3L3MBTL1
SCHEMBL27947183 0.86 CHRNB2 (0.36) GPR119CHRNB2CHRNA3CHRNA4
SCHEMBL4594886 0.85 GNAI3 (0.38) GNAI3GNAO1GNAI1L3MBTL3L3MBTL1
SCHEMBL27473154 0.83 SIGMAR1 (0.35) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27722912 0.83 GNAO1 (0.46) GNAI3GNAO1GNAI1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL27702404 0.82 GNAO1 (0.48) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL27694570 0.82 L3MBTL3 (0.34) L3MBTL3L3MBTL1CHRNB2CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL27722005 0.82 HPGD (0.37) GNAI3GNAO1GNAI1CHRNB2CHRNA3
Hydrochloric Acid SCHEMBL7098403 0.82 HPGD (0.37) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL28800368 0.81 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-109563043-A SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2019-04-02 CN disclosed