SCHEMBL30359043

SCHEMBL30359043

COc1ccccc1C(=O)N1CC2CCC1CN2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.47
MGLL Q99685 2/20 0.47
KDM4E B2RXH2 3/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK14 Q16539 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HSD11B1 P28845 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
HCRTR2 O43614 2/20 0.41
HCRTR1 O43613 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL30359001 0.87 PIN1 (0.44) LMNAHTTKDM4EHSD11B1KMT2A
SCHEMBL30359139 0.83 PIK3CD (0.47) HTTMGLLCYP2C9CYP2C19MAPK14
SCHEMBL30359097 0.80 MEN1 (0.45) LMNAHTTMGLLKDM4ECYP2C9
SCHEMBL6276557 0.76 HTT (0.58) LMNAHTTCYP2C9CYP2C19MAPK14
SCHEMBL30359092 0.76 HTT (0.58) LMNAHTTMGLLKDM4ECYP2C9
SCHEMBL30359168 0.75 ALDH1A1 (0.49) LMNAMGLLKDM4EHSD11B1KMT2A
SCHEMBL30359065 0.75 HCRTR1 (0.43) MGLLHSD11B1KMT2AALDH1A1HCRTR2
SCHEMBL30790460 0.75 SLC6A4 (0.43) LMNAMGLLTSHRHCRTR2HCRTR1
SCHEMBL30359048 0.74 KCNK3 (0.45) MGLL
SCHEMBL10293549 0.74 LMNA (0.50) LMNAHTTMGLLKDM4ECYP2C9

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