SCHEMBL28722945

SCHEMBL28722945

O=CN1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.56
ACACA Q13085 1/20 0.56
MAPK1 P28482 1/20 0.51
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ADRA1A P35348 2/20 0.42
EPHX2 P34913 2/20 0.42
HRH3 Q9Y5N1 4/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM3 P20309 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
SCHEMBL9602337 0.81 TSHR (0.57) MAPK1LMNAALDH1A1L3MBTL1TSHR
SCHEMBL6185165 0.81 MAPK1 (0.53) ACACBACACAMAPK1LMNACYP1A2
SCHEMBL6185328 0.81 MAPK1 (0.53) ACACBACACAMAPK1LMNACYP1A2
Hydrochloric Acid SCHEMBL4295644 0.80 MAPK1 (0.52) ACACBACACAMAPK1LMNACYP1A2
Hydrochloric Acid SCHEMBL4300948 0.80 MAPK1 (0.52) ACACBACACAMAPK1LMNACYP1A2
SCHEMBL6183048 0.76 RECQL (0.70) ACACBACACAMAPK1LMNACYP1A2
SCHEMBL1306587 0.74 SMN1; SMN2 (0.44) ACACBACACALMNAALDH1A1KDM4E
SCHEMBL976549 0.73 ACACB (1.00) ACACBACACAADRA1AL3MBTL3L3MBTL1
SCHEMBL6182411 0.73 ACACB (0.66) ACACBACACAALDH1A1KDM4EADRA1A
SCHEMBL3459079 0.73 ACACB (1.00) ACACBACACAADRA1AL3MBTL3L3MBTL1

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-109715637-B Glucokinase activators and methods of use thereof 百时美施贵宝公司 2022-04-05 CN disclosed