SCHEMBL19983786

SCHEMBL19983786

CNCc1c[nH]c2cc(Cc3ccc(C(F)(F)F)cc3Cl)ccc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.43
HTR2A P28223 3/20 0.43
KCNH2 Q12809 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.40
TBXAS1 P24557 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
SNCA P37840 5/20 0.39
GPR84 Q9NQS5 1/20 0.38
DAO P14920 1/20 0.37
CDK2 P24941 2/20 0.37
HSD17B10 Q99714 1/20 0.36
PDE5A O76074 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 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
SCHEMBL19984039 0.85 GPR84 (0.50) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL19984218 0.84 SLC6A4 (0.39) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL19983829 0.83 HTR2A (0.44) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL19983967 0.82 GPR84 (0.47) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL19983945 0.80 TBXAS1 (0.41) SLC6A4HTR2AKCNH2MRGPRX4TBXAS1
SCHEMBL19983972 0.75 GPR84 (0.40) SLC6A4HTR2ASLC6A2SLC6A3GPR84
SCHEMBL19983845 0.75 TBXAS1 (0.44) SLC6A4HTR2AKCNH2TBXAS1SLC6A2
SCHEMBL19983976 0.74 GPR84 (0.40) SLC6A4HTR2ASLC6A2SLC6A3GPR84
SCHEMBL19983801 0.74 GPR84 (0.41) SLC6A4HTR2ASLC6A2SLC6A3GPR84
SCHEMBL19984023 0.74 HTR2A (0.47) SLC6A4HTR2ASLC6A2SLC6A3GPR84

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