SCHEMBL19983971

SCHEMBL19983971

CNCc1cn(Sc2cccc(C(F)(F)F)c2)c2cc(Cc3ccc(OC)nc3Cl)ccc12

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
HTR2A P28223 2/20 0.32
SLC6A4 P31645 2/20 0.32
KCNH2 Q12809 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
CNR2 P34972 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
PHGDH O43175 1/20 0.31
MAT2A P31153 1/20 0.30
MITF O75030 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL19983978 0.89 MTNR1A (0.35) MTNR1AMTNR1BHTR2ASLC6A4KCNH2
SCHEMBL19984040 0.88 MTNR1A (0.34) MTNR1AMTNR1BHTR2ASLC6A4KCNH2
SCHEMBL19984212 0.83 SLC6A4 (0.33) HTR2ASLC6A4KCNH2KDM4EHPGD
SCHEMBL16626655 0.82 RORC (0.39) HSP90AA1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL16618977 0.82 RORC (0.39) HSP90AA1CNR2
SCHEMBL19983942 0.80 KDM4E (0.31) SLC6A4KDM4EHPGDXBP1
SCHEMBL19984219 0.76 SLC6A2 (0.36) SLC6A4P2RX7
SCHEMBL19984020 0.75 MTNR1A (0.33) MTNR1AMTNR1BP2RX7
SCHEMBL19983902 0.75 MTNR1A (0.33) MTNR1AMTNR1BSLC6A4KCNH2P2RX7
SCHEMBL19984289 0.74 NR1I2 (0.39) MTNR1AMTNR1BSLC6A4KCNH2KDM4E

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