SCHEMBL28474231

SCHEMBL28474231

CCC(O)N1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRNA7 P36544 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RAD52 P43351 1/20 0.34
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DRD2 P14416 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
OPRM1 P35372 1/20 0.33
NPY2R P49146 1/20 0.33
HTR7 P34969 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
SCHEMBL28718374 0.83 CHRNA7 (0.55) MAPTKDM4EALDH1A1ADRA2AADRA2B
SCHEMBL8334018 0.80 MAPT (0.49) MAPTKDM4EALDH1A1PKMLMNA
SCHEMBL188731 0.77 KDM4E (0.61) MAPTKDM4EALDH1A1PKM
SCHEMBL21815733 0.77 KDM4E (0.45) MAPTKDM4EALDH1A1PKMADRA2A
SCHEMBL5795262 0.75
SCHEMBL636365 0.73 TSHR (0.37) MEN1KMT2A
SCHEMBL3923601 0.73
SCHEMBL188197 0.73 CHRNA7 (0.66) MAPTKDM4EADRA2AADRA2BADRA2C
SCHEMBL29204363 0.72 TSHR (0.57) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL30767206 0.72 TSHR (0.57) MAPTALDH1A1LMNAMEN1KMT2A

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-107746405-B SYK inhibitors 吉利德科学公司 2020-09-22 CN disclosed