SCHEMBL23905650

SCHEMBL23905650

COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(C(F)(F)F)cc4)n2)OCC3C)C(F)F)cc2cc(Cl)cnc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
GCGR P47871 2/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
MAPT P10636 1/20 0.33
PDE4B Q07343 3/20 0.32
ALOX5 P09917 3/20 0.32
EPHX2 P34913 3/20 0.32
CTSA P10619 1/20 0.31
RHOC P08134 1/20 0.31
RHOA P61586 1/20 0.31
P2RX7 Q99572 1/20 0.31
VIPR2 P41587 1/20 0.31
GLP1R P43220 1/20 0.31
GIPR P48546 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
THRB P10828 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
SCHEMBL23905651 0.92 ROCK2 (0.33) ADRA1DADRA1AADRA1BGCGRROCK2
SCHEMBL23905736 0.87 SLC5A7 (0.32) P2RX7
SCHEMBL23905961 0.85 MAPT (0.32) ADRA1DADRA1AADRA1BGCGRROCK2
SCHEMBL23905464 0.84 ROCK2 (0.33) ROCK2ROCK1MAPTPDE4BP2RX7
SCHEMBL23905666 0.84 ROCK2 (0.33) GCGRROCK2ROCK1MAPTPDE4B
SCHEMBL23195972 0.83 TP53 (0.32) ROCK2ROCK1MAPTP2RX7THRB
SCHEMBL23905636 0.82 POLB (0.33) MAPT
SCHEMBL23905459 0.81 POLB (0.36) ROCK2ROCK1MAPTP2RX7HCRTR1
SCHEMBL23904908 0.76 MAPT (0.35) ROCK2ROCK1MAPTPDE4BALOX5
SCHEMBL23904817 0.76 LRRK2 (0.34)

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
WO-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed