SCHEMBL19984197

SCHEMBL19984197

CNCc1c[nH]c2cc(Nc3ccc(Cl)cc3C)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.49
SLC6A4 P31645 6/20 0.41
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 4/20 0.38
HTR2A P28223 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CACNA1G O43497 1/20 0.35
CACNA1B Q00975 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C8 P10632 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 3/20 0.35
ADRB3 P13945 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
P2RX3 P56373 1/20 0.35

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
SCHEMBL19984005 0.88 HTR2A (0.44) GPR84HTR2ACHRNB2CHRNA7CHRNA4
SCHEMBL19983772 0.87 GPR84 (0.48) GPR84SLC6A4SLC6A2KCNH2HTR2A
SCHEMBL19983891 0.86 GPR84 (0.49) GPR84SLC6A4HTR2ACHRNB2CHRNA7
SCHEMBL19983867 0.86 HTR2C (0.42) SLC6A4HTR2ACHRNB2CHRNA7CHRNA4
SCHEMBL19984110 0.85 GPR84 (0.44) GPR84SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL19983905 0.84 GPR84 (0.45) GPR84SLC6A4KCNH2HTR2ACHRNB2
SCHEMBL19984215 0.84 GAA (0.47) GPR84HTR2A
SCHEMBL19983847 0.84 TBXAS1 (0.42) GPR84SLC6A4KCNH2HTR2ACHRNB2
SCHEMBL19984167 0.84 NR3C1 (0.42) SLC6A4CHRNB2CHRNA7CHRNA4
SCHEMBL19983715 0.83 HTR2A (0.42) GPR84HTR2ACHRNB2CHRNA7CHRNA4

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