SCHEMBL28548780

SCHEMBL28548780

CCOC(=O)[C@@H]1[C@@H]2CCNCC[C@@H]21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.46
PTPN1 P18031 1/20 0.46
PPP1CC P36873 1/20 0.46
MAPT P10636 3/20 0.42
PKM P14618 1/20 0.42
HSD11B1 P28845 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 2/20 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
SCHEMBL30931757 1.00 PPM1B (0.46) PPM1BPTPN1PPP1CCMAPTPKM
SCHEMBL26077992 1.00 PPM1B (0.46) PPM1BPTPN1PPP1CCMAPTPKM
SCHEMBL28556040 1.00 PPM1B (0.46) PPM1BPTPN1PPP1CCMAPTPKM
SCHEMBL17520184 0.91 MAPT (0.46) PPM1BPTPN1PPP1CCMAPTPKM
Hydrochloric Acid SCHEMBL21724406 0.90 MAPT (0.48) PPM1BPTPN1PPP1CCMAPTPKM
SCHEMBL15712143 0.86 PPM1B (0.53) PPM1BPTPN1PPP1CCMAPTHSD11B1
SCHEMBL25467328 0.82 PPM1B (0.50) PPM1BPTPN1PPP1CCMAPTHSD11B1
SCHEMBL9843585 0.82 PPM1B (0.50) PPM1BPTPN1PPP1CCMAPTHSD11B1
SCHEMBL9537641 0.82 PPM1B (0.50) PPM1BPTPN1PPP1CCMAPTHSD11B1
SCHEMBL5791356 0.82 PPM1B (0.50) PPM1BPTPN1PPP1CCMAPTHSD11B1

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-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 CN disclosed