SCHEMBL19983976

SCHEMBL19983976

CNCc1c[nH]c2cc(Cc3ccc(C)nc3Cl)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.40
ADORA2A P29274 4/20 0.39
ADORA1 P30542 4/20 0.39
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 3/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
ASH1L Q9NR48 1/20 0.35
HTR2A P28223 2/20 0.34
PCSK9 Q8NBP7 1/20 0.34
CYP3A4 P08684 3/20 0.33
HTR1A P08908 2/20 0.33
HTR2C P28335 2/20 0.33
CYP1A2 P05177 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL19983972 0.89 GPR84 (0.40) GPR84SLC6A4SLC6A2SLC6A3CHRNB2
SCHEMBL19984044 0.86 GPR84 (0.40) GPR84ADORA2AADORA1CHRNB2CHRNA7
SCHEMBL19983815 0.85 CYP2C9 (0.43) GPR84SLC6A4SLC6A2SLC6A3CHRNB2
SCHEMBL19983829 0.81 HTR2A (0.44) GPR84SLC6A4SLC6A2SLC6A3CHRNB2
SCHEMBL19984039 0.77 GPR84 (0.50) GPR84SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL19984035 0.77 HTR2A (0.47) GPR84CHRNB2CHRNA7CHRNA4ASH1L
SCHEMBL19984023 0.76 HTR2A (0.47) GPR84SLC6A4SLC6A2SLC6A3CHRNB2
SCHEMBL19983801 0.76 GPR84 (0.41) GPR84SLC6A4SLC6A2SLC6A3CHRNB2
SCHEMBL19983786 0.74 SLC6A4 (0.43) GPR84SLC6A4SLC6A2SLC6A3CHRNB2
SCHEMBL19983967 0.74 GPR84 (0.47) GPR84ADORA1SLC6A4SLC6A2SLC6A3

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