SCHEMBL28291375

SCHEMBL28291375

CN(C1CCC1)C1CCN(OC(=O)C(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.34
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HSD11B1 P28845 1/20 0.31
ATM Q13315 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL3 Q96JM7 1/20 0.30
ENO1 P06733 1/20 0.30

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
SCHEMBL27725144 0.97 OPRK1 (0.38) OPRK1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL28253996 0.95 GPR119 (0.32) HSD11B1L3MBTL3
SCHEMBL28253864 0.88 DDB1 (0.34)
SCHEMBL28965080 0.87 MCHR1 (0.33) HSD11B1
SCHEMBL28866127 0.83 DDB1 (0.35)
SCHEMBL27679204 0.81 VNN1 (0.35) LMNAMAPTHSD11B1
SCHEMBL27926085 0.80 HSD11B1 (0.34) ALDH1A1HSD11B1
SCHEMBL27770770 0.79 HTR2A (0.34) ALDH1A1LMNA
SCHEMBL28820105 0.79 PIM1 (0.32) L3MBTL3ENO1
SCHEMBL28023308 0.78 ACKR3 (0.37) ALDH1A1

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