SCHEMBL30975211

SCHEMBL30975211

CN1CCN(Cc2cncnc2N)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.44
LMNA P02545 1/20 0.44
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
MAP4K4 O95819 1/20 0.39
MC4R P32245 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
PTPN1 P18031 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CHRNA7 P36544 1/20 0.37
HTR6 P50406 1/20 0.37
FGFR1 P11362 1/20 0.37
RET P07949 1/20 0.37
SRC P12931 2/20 0.36
CA2 P00918 1/20 0.36
NCF1 P14598 1/20 0.36
CHKA P35790 1/20 0.36
PRMT6 Q96LA8 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
SCHEMBL28146456 0.81 CYP2C9 (0.45) KDM4E
SCHEMBL1252213 0.75 GAA (0.48) NR1H2LMNADRD4DRD3MC4R
SCHEMBL30975206 0.74 METAP2 (0.50) NR1H2LMNADRD4DRD3MC4R
SCHEMBL30975198 0.74 METAP2 (0.50) NR1H2LMNADRD4DRD3MC4R
SCHEMBL28319481 0.72 MC4R (0.55) LMNADRD4DRD3MC4RALDH1A1
SCHEMBL27360423 0.72 MC4R (0.46) LMNADRD4DRD3MC4RALDH1A1
SCHEMBL20332426 0.69 LMNA (0.58) LMNAMC4RALDH1A1KDM4EPTPN1
SCHEMBL12877696 0.69
SCHEMBL22230354 0.69 LMNA (0.45) NR1H2LMNADRD4DRD3MAP4K4
SCHEMBL20214361 0.69 NR1H2 (0.63) NR1H2ALDH1A1KDM4EPOLBRET

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
WO-2024134514-A1 NOVEL COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2024-06-27 WO disclosed