SCHEMBL19983967

SCHEMBL19983967

CNCc1c[nH]c2cc(Cc3ccc(Cl)cc3C(F)(F)F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.47
SNCA P37840 8/20 0.43
SLC6A4 P31645 5/20 0.42
KCNH2 Q12809 3/20 0.42
HTR2A P28223 3/20 0.42
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
CACNA1G O43497 1/20 0.36
CACNA1B Q00975 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
LCK P06239 1/20 0.36
PGR P06401 1/20 0.36
CSF1R P07333 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
PDGFRB P09619 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
KIT P10721 1/20 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
SCHEMBL19983786 0.82 SLC6A4 (0.43) GPR84SNCASLC6A4KCNH2HTR2A
SCHEMBL19983905 0.80 GPR84 (0.45) GPR84SNCASLC6A4KCNH2HTR2A
SCHEMBL19984039 0.78 GPR84 (0.50) GPR84SNCASLC6A4KCNH2HTR2A
SCHEMBL19984218 0.77 SLC6A4 (0.39) GPR84SLC6A4KCNH2HTR2ASLC6A2
SCHEMBL13452639 0.77 SLC6A4 (0.58) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL19983829 0.76 HTR2A (0.44) GPR84SNCASLC6A4KCNH2HTR2A
SCHEMBL19983972 0.75 GPR84 (0.40) GPR84SLC6A4HTR2ACYP3A4CYP2C19
SCHEMBL19983976 0.74 GPR84 (0.40) GPR84SLC6A4HTR2ACYP3A4CYP2C19
SCHEMBL19984023 0.74 HTR2A (0.47) GPR84SLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL19983801 0.74 GPR84 (0.41) GPR84SLC6A4HTR2ACYP3A4CYP2C19

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