SCHEMBL1707646

SCHEMBL1707646

COC(=O)/C=C/c1cnc(N[C@@H]2CCCN(CCc3ccc(F)c(F)c3)C2)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.40
CCR2 P41597 1/20 0.40
ROCK1 Q13464 1/20 0.40
POLB P06746 2/20 0.40
CCR3 P51677 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
PDPK1 O15530 1/20 0.38
KAT2B Q92831 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
ABCC1 P33527 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL1707428 0.95 PDPK1 (0.37) POLBCCR3ALDH1A1PDPK1ABCC1
SCHEMBL1708429 0.91 ROCK2 (0.42) ROCK2CCR2ROCK1POLBCCR3
SCHEMBL1708431 0.91 ROCK2 (0.42) ROCK2CCR2ROCK1POLBCCR3
SCHEMBL1707751 0.89 SLC6A3 (0.41) CCR3ALDH1A1MAPK1KAT2BKMT2A
SCHEMBL1707635 0.89 ROCK2 (0.41) ROCK2CCR2ROCK1POLBCCR3
SCHEMBL1707637 0.89 ROCK2 (0.41) ROCK2CCR2ROCK1POLBCCR3
SCHEMBL1707692 0.89 KAT2B (0.40) ROCK2CCR2ROCK1KAT2BKMT2A
Hydrochloric Acid SCHEMBL1707329 0.89 ROCK2 (0.40) ROCK2CCR2ROCK1POLBCCR3
Hydrochloric Acid SCHEMBL1707327 0.89 ROCK2 (0.40) ROCK2CCR2ROCK1POLBCCR3
Hydrochloric Acid SCHEMBL1707276 0.89 ROCK2 (0.40) ROCK2CCR2ROCK1POLBCCR3

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-1981877-B1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-04-18 EP disclosed