SCHEMBL30359014

SCHEMBL30359014

O=C(c1ccccc1F)N1CC2CCC(C1)N2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPK14 Q16539 1/20 0.51
KDM4E B2RXH2 3/20 0.50
HTT P42858 2/20 0.50
HSD11B1 P28845 2/20 0.50
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
MGLL Q99685 1/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 1/20 0.48
CCR5 P51681 1/20 0.47
EPHX2 P34913 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL30359070 0.81 HTT (0.55) KMT2ACYP2C9CYP2C19MAPK14HTT
SCHEMBL30359092 0.78 HTT (0.58) KMT2ATSHRCYP2C9CYP2C19MAPK14
SCHEMBL4788243 0.76 TSHR (0.53) MEN1KMT2ATSHRCYP2C9CYP2C19
SCHEMBL4788064 0.76 TSHR (0.53) MEN1KMT2ATSHRCYP2C9CYP2C19
SCHEMBL30334082 0.76 MEN1 (0.61) MEN1KMT2ATSHRCYP2C9CYP2C19
SCHEMBL31454273 0.76 TSHR (0.62) MEN1KMT2ATSHRHSD11B1ALDH1A1
SCHEMBL11715149 0.76 TSHR (0.80) MEN1KMT2ATSHRCYP2C9CYP2C19
SCHEMBL22305400 0.76 TSHR (0.80) MEN1KMT2ATSHRCYP2C9CYP2C19
SCHEMBL17793825 0.76 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL23536584 0.75 TSHR (0.61) MEN1KMT2ATSHRKDM4EHTT

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-116057057-A Conjugates of alpha 2-adrenoceptor subtype C (alpha-2C) antagonists and TASK1/3 channel blockers for the treatment of sleep apnea 拜耳公司 2023-05-02 CN disclosed