SCHEMBL19983902

SCHEMBL19983902

CNCc1cn(Sc2cccc(Cl)c2)c2cc(Nc3ccc(OC)nc3Cl)ccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
AVPR2 P30518 1/20 0.32
SLC6A4 P31645 1/20 0.32
PTGS2 P35354 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
OPRK1 P41145 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PDE4D Q08499 1/20 0.32
KCNH2 Q12809 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL19984020 0.92 MTNR1A (0.33) MTNR1AMTNR1BP2RX7
SCHEMBL19983780 0.90 PLK4 (0.30)
SCHEMBL19984114 0.86 CYP1A2 (0.31) PTGS2
SCHEMBL19983978 0.85 MTNR1A (0.35) MTNR1AMTNR1BSLC6A2SLC6A4SLC6A3
SCHEMBL19983901 0.84 TSHR (0.35) POLBKMT2A
SCHEMBL19983767 0.81
SCHEMBL19983909 0.81 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL19983888 0.80 P2RX7 (0.31) SLC6A2SLC6A4KCNH2P2RX7
SCHEMBL16626513 0.80 HTR6 (0.42) MTNR1AMTNR1BPGR
SCHEMBL19983907 0.80 FPR1 (0.36) SLC6A2SLC6A4KCNH2POLBKMT2A

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