SCHEMBL28495248

SCHEMBL28495248

CN1CCN(C(=O)C2CCCN2C(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PPP5C P53041 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PPP2CA P67775 1/20 0.44

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
SCHEMBL18693576 1.00 HTT (0.49) HTTLMNAHSD17B10PPP5CKDM4E
SCHEMBL18426921 0.85
SCHEMBL5592744 0.85
SCHEMBL5592746 0.85
SCHEMBL13779938 0.85 HTT (0.47) HTTLMNAHSD17B10
SCHEMBL18426444 0.82 HSD11B1 (0.55) HSD17B10
SCHEMBL18426445 0.82 HSD11B1 (0.55) HSD17B10
SCHEMBL19416041 0.82 HTT (0.49) HTT
SCHEMBL19416085 0.82 HTT (0.49) HTT
SCHEMBL8194282 0.80 HTT (0.53) HTTLMNAPPP5CKDM4EALDH1A1

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-108513574-B N-sulfonylated pyrazolo [3, 4-b ] pyridine-6-carboxamides and methods of use 艾伯维公司 2021-01-05 CN disclosed