SCHEMBL30359062

SCHEMBL30359062

COc1ccc(Cl)c(C(=O)N2C3CCC2CNC3)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 19/20 0.48
KCNK9 Q9NPC2 19/20 0.48
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 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
SCHEMBL21904724 0.93 KCNK3 (0.45) KCNK3KCNK9
SCHEMBL30359111 0.86 HTR2A (0.41) KCNK3KCNK9HTR2AHTR2CHTR2B
SCHEMBL30359131 0.85 KCNK3 (0.47) KCNK3KCNK9HTR2AHTR2CHTR2B
SCHEMBL22001581 0.84 KCNK3 (0.46) KCNK3KCNK9HTR2AHTR2CHTR2B
SCHEMBL20587387 0.79 KCNK3 (0.46) KCNK3KCNK9
SCHEMBL30359095 0.79 KCNK3 (0.46) KCNK3KCNK9
SCHEMBL30359044 0.79 HTR2A (0.41) KCNK3KCNK9HTR2AHTR2CHTR2B
SCHEMBL30359052 0.78 KCNK3 (0.48) KCNK3KCNK9
SCHEMBL30359079 0.77 MGLL (0.47) KCNK3KCNK9HTR2AHTR2CHTR2B
SCHEMBL30359003 0.76 HTR2A (0.42) KCNK3KCNK9HTR2AHTR2CHTR2B

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