SCHEMBL19984000

SCHEMBL19984000

CNCc1c[nH]c2cc(Nc3ccc(C)cc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.46
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
PCSK9 Q8NBP7 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.40
FTO Q9C0B1 1/20 0.40
PTGS2 P35354 1/20 0.40
GPR84 Q9NQS5 2/20 0.40
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
SSTR3 P32745 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
APP P05067 2/20 0.37
HTR1A P08908 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL19984119 0.87 GPR84 (0.53) HTR2ACHRNB2CHRNA7CHRNA4ALKBH5
SCHEMBL19984005 0.85 HTR2A (0.44) HTR2ACHRNB2CHRNA7CHRNA4PCSK9
SCHEMBL19984088 0.85 HTR1D (0.50) HTR2ACHRNB2CHRNA7CHRNA4GPR84
SCHEMBL19983831 0.85 HTR2A (0.49) HTR2APTGS2GPR84MEN1GAA
SCHEMBL3281375 0.85 HTR2A (0.61) HTR2ACHRNB2CHRNA7CHRNA4PCSK9
SCHEMBL19983845 0.84 TBXAS1 (0.44) HTR2ACHRNB2CHRNA7CHRNA4GPR84
SCHEMBL19983715 0.83 HTR2A (0.42) HTR2ACHRNB2CHRNA7CHRNA4PCSK9
SCHEMBL19983754 0.83 HTR2A (0.45) HTR2ACHRNB2CHRNA7CHRNA4PCSK9
SCHEMBL19984216 0.83 GPR84 (0.48) HTR2ACHRNB2CHRNA7CHRNA4GPR84
SCHEMBL19983833 0.82 SCN9A (0.44) HTR2ACHRNB2CHRNA7CHRNA4GPR84

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-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed