SCHEMBL19984289

SCHEMBL19984289

COc1ccc(Nc2ccc3c(CN4CCCC4)cn(Sc4cccc(C(F)(F)F)c4)c3c2)c(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A2 P23975 1/20 0.39
AVPR2 P30518 1/20 0.39
SLC6A4 P31645 1/20 0.39
PTGS2 P35354 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
OPRK1 P41145 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDE3A Q14432 1/20 0.39
GHSR Q92847 1/20 0.39
SLC29A1 Q99808 1/20 0.39

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
SCHEMBL19984219 0.87 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3NPC1APP
SCHEMBL16619007 0.83 HTR6 (0.42) NR1I2PGRCHRM2ADORA3ADRA2C
SCHEMBL19984057 0.80 AKR1C3 (0.35) NPC1KMT2AKDRAPPBRAF
SCHEMBL19984020 0.78 MTNR1A (0.33) MTNR1AMTNR1BEGFRP2RX7
SCHEMBL19983902 0.77 MTNR1A (0.33) NR1I2PGRCHRM2ADORA3ADRA2C
SCHEMBL19983971 0.74 PDE5A (0.33) SLC6A4KCNH2MTNR1AMTNR1BKDM4E
SCHEMBL19984022 0.71 AKR1C3 (0.38) GAAPOLBKDRAPPALDH1A1
SCHEMBL19983937 0.71 MPO (0.37) SLC6A2SLC6A4KCNH2POLBKMT2A
SCHEMBL19984029 0.71 APP (0.35) SLC6A4PTGS2KCNH2EGFRAPP
SCHEMBL19984021 0.71 GAK (0.40) SLC6A4KCNH2POLBKMT2AEGFR

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