SCHEMBL14823830

SCHEMBL14823830

CO[C@H]1C=CC(CCN)=CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
APEX1 P27695 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL13456923 0.85
SCHEMBL16938662 0.84
SCHEMBL12812753 0.79
SCHEMBL15385099 0.78
SCHEMBL20880800 0.78
SCHEMBL13552282 0.76 TAAR1 (0.30) TAAR1
SCHEMBL9953767 0.74 ALDH1A1 (0.31) CYP3A4TSHR
SCHEMBL14394189 0.74
SCHEMBL13772404 0.74
SCHEMBL13093769 0.73

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
EP-2152676-B1 \"TRIAZINE DERIVATIVES, COMPOSITIONS CONTAINING SUCH DERIVATIVES, AND METHODS OF TREATMENT OF CANCER AND AUTOIMMUNE DISEASES USING SUCH DERIVATIVES\ PROMETIC BIOSCIENCES INC (CA) 2013-04-03 EP disclosed