SCHEMBL19984170

SCHEMBL19984170

CNCc1c[nH]c2cc(-c3ccc(C)cc3Cl)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
GPR84 Q9NQS5 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
PCSK9 Q8NBP7 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.39
FTO Q9C0B1 1/20 0.39
TNKS2 Q9H2K2 3/20 0.38
ADRB3 P13945 1/20 0.37
NR3C1 P04150 1/20 0.36
ASH1L Q9NR48 1/20 0.36
SSTR3 P32745 2/20 0.36

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
SCHEMBL19984283 0.85 HTR2A (0.47) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL3281375 0.82 HTR2A (0.61) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19983829 0.80 HTR2A (0.44) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19983715 0.78 HTR2A (0.42) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19983923 0.75 GPR84 (0.51) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL23456044 0.73 HTR1D (0.61) HTR2AGPR84PCSK9FTOKDM4E
SCHEMBL19984035 0.73 HTR2A (0.47) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL15897700 0.72 CHRNB2 (0.72) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19984000 0.72 HTR2A (0.46) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19983776 0.71 CHRNB2 (0.42) 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