SCHEMBL28844970

SCHEMBL28844970

C[C](C)CN1CCC(O)(c2ccc(F)cc2)C(O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.37
DRD2 P14416 8/20 0.36
SIGMAR1 Q99720 3/20 0.36
DRD3 P35462 3/20 0.36
AR P10275 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
ALK Q9UM73 1/20 0.35
HTR1A P08908 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR7 P34969 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL28148983 0.86 SLC6A3 (0.44) SLC6A3KMT2ALMNASMN1; SMN2TSHR
SCHEMBL27790061 0.73 LMNA (0.44) KMT2ALMNADRD2SIGMAR1DRD3
SCHEMBL27677888 0.72 SMN1; SMN2 (0.54) SLC6A3LMNASMN1; SMN2TSHRDRD2
SCHEMBL4614574 0.72 SLC6A3 (0.49) SLC6A3KMT2ADRD2DRD3HTT
SCHEMBL4666335 0.72 SLC6A3 (0.49) SLC6A3KMT2ADRD2DRD3HTT
SCHEMBL28199311 0.72 OPRM1 (0.57) KMT2ALMNASMN1; SMN2TSHR
SCHEMBL16422536 0.72 SLC6A3 (0.49) SLC6A3KMT2ADRD2DRD3HTT
SCHEMBL27769463 0.71 SMN1; SMN2 (0.41) SLC6A3LMNASMN1; SMN2TSHRDRD2
SCHEMBL8986058 0.70 DRD2 (0.70) SLC6A3KMT2ATSHRDRD2SIGMAR1
SCHEMBL27677989 0.69 DRD2 (0.42) LMNASMN1; SMN2TSHRDRD2DRD3

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-104203928-B Triazineon compounds and T-shaped calcium channel blocker 日产化学工业株式会社 2017-06-06 CN disclosed