SCHEMBL8264808

SCHEMBL8264808

CNC(=O)COc1cc(C(=N)N)ccc1CNC(=O)c1ccc(F)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.57
F2 P00734 2/20 0.41
KLKB1 P03952 5/20 0.41
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
AKR1B1 P15121 3/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
LMNA P02545 2/20 0.39
PLAU P00749 1/20 0.38
EPHX2 P34913 1/20 0.38
MAPK1 P28482 1/20 0.38
NLRP1 Q9C000 1/20 0.38

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
Hydrochloric Acid SCHEMBL5900754 0.99 F10 (0.56) F10F2KLKB1ROCK2ROCK1
SCHEMBL8264866 0.91 F10 (0.58) F10F2KLKB1ROCK2ROCK1
Hydrochloric Acid SCHEMBL5088329 0.90 F10 (0.57) F10F2KLKB1ROCK2ROCK1
Hydrochloric Acid SCHEMBL5178223 0.89 F10 (0.53) F10F2KLKB1ROCK2ROCK1
SCHEMBL8267012 0.88 F10 (0.67) F10F2KLKB1HTTKMT2A
SCHEMBL8265923 0.88 F10 (0.63) F10F2KLKB1ROCK2ROCK1
SCHEMBL8264885 0.87 F10 (0.62) F10F2KLKB1HTTKMT2A
Hydrochloric Acid SCHEMBL5900590 0.87 F10 (0.66) F10F2KLKB1HTTKMT2A
Hydrochloric Acid SCHEMBL5088320 0.87 F10 (0.62) F10F2KLKB1ROCK2ROCK1
SCHEMBL8266444 0.86 F10 (0.53) F10F2KLKB1ROCK2ROCK1

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-2006027135-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-16 WO disclosed