SCHEMBL19983876

SCHEMBL19983876

CNCc1c[nH]c2cc(Nc3c(F)cc(Br)cc3Br)ccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
GPR84 Q9NQS5 5/20 0.38
HTR2A P28223 2/20 0.35
APP P05067 2/20 0.34
MPO P05164 2/20 0.33
HTR2C P28335 1/20 0.33
IDO1 P14902 1/20 0.32
HTR1A P08908 1/20 0.32
HTR6 P50406 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
NR3C1 P04150 1/20 0.31
CFTR P13569 1/20 0.31

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
SCHEMBL19984146 0.94 CHRNB2 (0.46) CHRNB2CHRNA7CHRNA4GPR84HTR2A
SCHEMBL19983884 0.91 GPR84 (0.41) CHRNB2CHRNA7CHRNA4GPR84HTR2A
SCHEMBL19984243 0.84 GPR84 (0.46) CHRNB2CHRNA7CHRNA4GPR84HTR2A
SCHEMBL19983851 0.83 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4GPR84HTR2A
SCHEMBL19983887 0.82 GPR84 (0.43) CHRNB2CHRNA7CHRNA4GPR84HTR2A
SCHEMBL19984242 0.81 HTR2A (0.44) CHRNB2CHRNA7CHRNA4GPR84HTR2A
SCHEMBL19983984 0.80 GPR84 (0.41) CHRNB2CHRNA7CHRNA4GPR84HTR2A
SCHEMBL19983983 0.79 GPR84 (0.44) CHRNB2CHRNA7CHRNA4GPR84HTR2A
SCHEMBL19984119 0.78 GPR84 (0.53) CHRNB2CHRNA7CHRNA4GPR84HTR2A
SCHEMBL19983765 0.78 GPR84 (0.43) CHRNB2CHRNA7CHRNA4GPR84HTR2A

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