SCHEMBL28159451

SCHEMBL28159451

CCC(N)CCCCCNC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
ALDH1A1 P00352 1/20 0.44
RRM1 P23921 1/20 0.44
DPP7 Q9UHL4 2/20 0.43
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
EPHX1 P07099 7/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PAOX Q6QHF9 2/20 0.37
CASP2 P42575 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL27808520 0.85 DPP7 (0.56) GNAI3GNAO1GNAI1ALDH1A1RRM1
SCHEMBL5434986 0.84 CYP2D6 (0.38) GNAI3GNAO1GNAI1ALDH1A1RRM1
SCHEMBL4317858 0.81 DPP7 (0.38) GNAI3GNAO1GNAI1ALDH1A1RRM1
SCHEMBL6191507 0.81 DPP7 (0.38) GNAI3GNAO1GNAI1ALDH1A1RRM1
SCHEMBL4317849 0.81 DPP7 (0.38) GNAI3GNAO1GNAI1ALDH1A1RRM1
SCHEMBL27220654 0.81 TP53 (0.47) GNAI3GNAO1GNAI1ALDH1A1RRM1
SCHEMBL20358148 0.81 GNAI3 (0.40) GNAI3GNAO1GNAI1ALDH1A1RRM1
SCHEMBL28290410 0.80 ALDH1A1 (0.51) GNAI3GNAO1GNAI1ALDH1A1RRM1
Hydrochloric Acid SCHEMBL30299029 0.79 TP53 (0.46) GNAI3GNAO1GNAI1ALDH1A1RRM1
SCHEMBL27207965 0.77 TDP1 (0.59) EPHX1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022268066-A1 PROTEIN DEGRADATION AGENT 苏州开拓药业股份有限公司 2022-12-29 WO disclosed
CN-105753872-B Two spiropiperidines or spiropyrrolidines derivatives 第三共株式会社 2017-11-17 CN disclosed
CN-104910148-B Aminotriazole(ATA) and pyridine and its as kinase inhibitor purposes 西格诺药品有限公司 2017-06-27 CN disclosed