SCHEMBL6774358

SCHEMBL6774358

CC(C)(C)OC(=O)[C@H]1CC[C@H](CN)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.52
PLAT P00750 1/20 0.52
LMNA P02545 1/20 0.52
HRH3 Q9Y5N1 1/20 0.42
F2 P00734 1/20 0.41
KMT2A Q03164 2/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
NR1H2 P55055 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL5540803 1.00 PLG (0.52) PLGPLATLMNAHRH3F2
SCHEMBL25733025 0.87 HRH3 (0.41) PLGPLATLMNAHRH3F2
SCHEMBL1295721 0.84 HRH3 (0.51) HRH3KMT2AALDH1A1MEN1TSHR
SCHEMBL28492122 0.84 HRH3 (0.51) HRH3KMT2AALDH1A1MEN1TSHR
SCHEMBL186721 0.84 HRH3 (0.51) HRH3KMT2AALDH1A1MEN1TSHR
SCHEMBL30728039 0.83 NR1H2 (0.47) HRH3KMT2ATHRATHRBNR1H2
SCHEMBL18873171 0.83 NR1H2 (0.47) HRH3KMT2ATHRATHRBNR1H2
SCHEMBL30728036 0.83 NR1H2 (0.47) HRH3KMT2ATHRATHRBNR1H2
SCHEMBL19757942 0.83 HRH3 (0.43) HRH3KMT2ATHRATHRBNR1H2
SCHEMBL24790884 0.81 HRH3 (0.42) HRH3KMT2ATHRATHRBNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118894902-B Peptide derivatives, preparation method and application thereof 云南苏理生物医药科技有限公司 2024-12-24 CN disclosed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
US-6683055-B1 GUANIDINE OR AMIDINE TERMINED PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed