SCHEMBL7778436

SCHEMBL7778436

NC(c1cc(-c2ccccc2)c2c(n1)OCCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2=O)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
TNIK Q9UKE5 5/20 0.39
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
MAPK1 P28482 2/20 0.35
ADRB2 P07550 1/20 0.35
FPR1 P21462 1/20 0.35
GPR183 P32249 1/20 0.35
APLNR P35414 1/20 0.35
GLP1R P43220 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
GPR35 Q9HC97 1/20 0.35
TACR1 P25103 7/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CES2 O00748 1/20 0.33

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
SCHEMBL7525671 0.87 ROCK2 (0.43) ROCK2ROCK1TNIKSIRT2SIRT1
SCHEMBL6793859 0.83 ROCK2 (0.43) ROCK2ROCK1TNIKSIRT2SIRT1
SCHEMBL4513882 0.82 ROCK2 (0.44) ROCK2ROCK1TNIKSIRT2SIRT1
SCHEMBL6794050 0.82 ROCK2 (0.44) ROCK2ROCK1TNIKSIRT2SIRT1
SCHEMBL7783684 0.81 ROCK2 (0.41) ROCK2ROCK1TNIKSIRT2SIRT1
SCHEMBL6794591 0.81 GRM2 (0.46) ROCK2ROCK1TNIKSIRT2SIRT1
SCHEMBL6795924 0.81 ROCK2 (0.43) ROCK2ROCK1TNIKSIRT2SIRT1
SCHEMBL6794230 0.81 ROCK2 (0.43) ROCK2ROCK1TNIKSIRT2SIRT1
SCHEMBL7697384 0.80 ROCK2 (0.40) ROCK2ROCK1TNIKSIRT2SIRT1
SCHEMBL6789592 0.80 ROCK2 (0.42) ROCK2ROCK1TNIKSIRT2SIRT1

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-1145714-A1 DRUGS Takeda Chemical Industries, Ltd. (JP) 2001-10-17 EP disclosed