SCHEMBL19984035

SCHEMBL19984035

CNCc1c[nH]c2cc(Cc3ccc(C)cc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.47
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
PCSK9 Q8NBP7 1/20 0.42
SNCA P37840 2/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
FTO Q9C0B1 1/20 0.41
GPR84 Q9NQS5 2/20 0.41
ASH1L Q9NR48 1/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HTR1A P08908 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR3C1 P04150 1/20 0.38
SSTR3 P32745 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTR6 P50406 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
SCHEMBL3281375 0.86 HTR2A (0.61) HTR2ACHRNB2CHRNA7CHRNA4PCSK9
SCHEMBL19984023 0.84 HTR2A (0.47) HTR2ACHRNB2CHRNA7CHRNA4PCSK9
SCHEMBL19983829 0.84 HTR2A (0.44) HTR2ACHRNB2CHRNA7CHRNA4PCSK9
SCHEMBL19984000 0.81 HTR2A (0.46) HTR2ACHRNB2CHRNA7CHRNA4PCSK9
SCHEMBL19983951 0.80 TRPV1 (0.41) HTR2ACHRNB2CHRNA7CHRNA4GPR84
SCHEMBL19983801 0.79 GPR84 (0.41) HTR2ACHRNB2CHRNA7CHRNA4GPR84
SCHEMBL19984036 0.78 LMNA (0.44) HTR2ACHRNB2CHRNA7CHRNA4SNCA
SCHEMBL19984044 0.77 GPR84 (0.40) HTR2ACHRNB2CHRNA7CHRNA4GPR84
SCHEMBL19983976 0.77 GPR84 (0.40) HTR2ACHRNB2CHRNA7CHRNA4PCSK9
SCHEMBL23456044 0.76 HTR1D (0.61) HTR2APCSK9FTOGPR84KDM4E

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