SCHEMBL30705397

SCHEMBL30705397

CN(C)CCC(N)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.49
HRH1 P35367 4/20 0.46
HTR2A P28223 1/20 0.46
CHRNB2 P17787 3/20 0.45
CHRNA4 P43681 3/20 0.45
CYP2D6 P10635 3/20 0.43
CHRM1 P11229 2/20 0.43
CYP3A4 P08684 1/20 0.43
KCNH2 Q12809 1/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
CHRM2 P08172 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
CFTR P13569 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GOPC Q9HD26 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 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
SCHEMBL5264707 0.83 CHRNB2 (0.46) CHRNA7HRH1HTR2ACHRNB2CHRNA4
SCHEMBL905971 0.81 CFTR (0.46) KCNH2SLC6A2SLC6A4CFTRSLC6A3
SCHEMBL906141 0.81 CFTR (0.46) KCNH2SLC6A2SLC6A4CFTRSLC6A3
SCHEMBL20319037 0.81 CFTR (0.46) KCNH2SLC6A2SLC6A4CFTRSLC6A3
SCHEMBL11298123 0.80 CHRNA7 (0.49) CHRNA7HRH1HTR2ACHRNB2CHRNA4
SCHEMBL4506098 0.78 HTR2A (0.67) HRH1HTR2ACYP2D6CHRM1KCNH2
SCHEMBL2680525 0.78 HTR2A (0.67) HRH1HTR2ACYP2D6CHRM1KCNH2
SCHEMBL8179214 0.78 CFTR (0.43) KCNH2SLC6A2SLC6A4CFTRSLC6A3
SCHEMBL14786230 0.78 L3MBTL1 (0.46) CYP2D6CYP3A4KCNH2SLC6A2SLC6A4
SCHEMBL17483463 0.77 SMN1; SMN2 (0.47) KCNH2SLC6A2SLC6A4CFTRSLC6A3

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-117098765-A Heterocyclic derivatives as Janus kinase inhibitors 奇斯药制品公司 2023-11-21 CN disclosed