SCHEMBL19983829

SCHEMBL19983829

CNCc1c[nH]c2cc(Cc3ccc(C)cc3Cl)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.44
SLC6A4 P31645 4/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 3/20 0.43
GPR84 Q9NQS5 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
PCSK9 Q8NBP7 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.39
FTO Q9C0B1 1/20 0.39
ADRB3 P13945 1/20 0.37
NR3C1 P04150 1/20 0.36
ASH1L Q9NR48 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SNCA P37840 2/20 0.35
HTR1D P28221 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL19984039 0.86 GPR84 (0.50) HTR2ASLC6A4SLC6A2SLC6A3GPR84
SCHEMBL19984023 0.85 HTR2A (0.47) HTR2ASLC6A4SLC6A2SLC6A3GPR84
SCHEMBL19984035 0.84 HTR2A (0.47) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19983786 0.83 SLC6A4 (0.43) HTR2ASLC6A4SLC6A2SLC6A3GPR84
SCHEMBL3281375 0.82 HTR2A (0.61) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19984218 0.81 SLC6A4 (0.39) HTR2ASLC6A4SLC6A2SLC6A3GPR84
SCHEMBL19983976 0.81 GPR84 (0.40) HTR2ASLC6A4SLC6A2SLC6A3GPR84
SCHEMBL19984170 0.80 HTR2A (0.44) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19983972 0.79 GPR84 (0.40) HTR2ASLC6A4SLC6A2SLC6A3GPR84
SCHEMBL16618867 0.78 CDK4 (0.39) HTR2AGPR84PCSK9KDM4ESNCA

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