SCHEMBL19984180

SCHEMBL19984180

CNCc1c[nH]c2cc(Nc3ccc(Oc4ccc(Cl)cc4)cc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.47
SLC6A4 P31645 11/20 0.47
KCNH2 Q12809 10/20 0.47
GPR84 Q9NQS5 1/20 0.46
SCN9A Q15858 4/20 0.41
SCN5A Q14524 1/20 0.39
TTBK1 Q5TCY1 2/20 0.39
TTBK2 Q6IQ55 2/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 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
SCHEMBL19983833 0.89 SCN9A (0.44) HTR2ASLC6A4GPR84SCN9ACHRNB2
SCHEMBL19983734 0.88 GPR84 (0.46) HTR2ASLC6A4KCNH2GPR84TTBK1
SCHEMBL19983831 0.85 HTR2A (0.49) HTR2AGPR84
SCHEMBL19984216 0.84 GPR84 (0.48) HTR2ASLC6A4GPR84CHRNB2CHRNA7
SCHEMBL19984000 0.81 HTR2A (0.46) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19984119 0.80 GPR84 (0.53) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19984197 0.79 GPR84 (0.49) HTR2ASLC6A4KCNH2GPR84CHRNB2
SCHEMBL19984110 0.78 GPR84 (0.44) HTR2ASLC6A4KCNH2GPR84CHRNB2
SCHEMBL19983772 0.78 GPR84 (0.48) HTR2ASLC6A4KCNH2GPR84CHRNB2
SCHEMBL19984088 0.78 HTR1D (0.50) HTR2AGPR84CHRNB2CHRNA7CHRNA4

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