SCHEMBL7369282

SCHEMBL7369282

NC(=O)c1cccnc1C[CH]C(=O)N1CCC(CCF)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
TEAD1 P28347 1/20 0.38
TEAD3 Q99594 1/20 0.38
PRKCQ Q04759 2/20 0.35
RBP4 P02753 1/20 0.35
TTR P02766 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
MAPK14 Q16539 1/20 0.35
BTK Q06187 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PARP14 Q460N5 1/20 0.34
SCD O00767 1/20 0.34
GRIN2B Q13224 1/20 0.34
ROCK2 O75116 1/20 0.34
SYK P43405 2/20 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
SCHEMBL7364619 0.75 BTK (0.37) HTR2AHTR2CTEAD1TEAD3BTK
SCHEMBL7444511 0.72 PARP14 (0.36) HTR2AHTR2CBTKPARP14PARP1
SCHEMBL7360351 0.70 PARP14 (0.40) TEAD1PARP14GRIN2BPARP1
SCHEMBL7364168 0.70 PRSS1 (0.40) TEAD1TEAD3PARP14
SCHEMBL6979526 0.70 POLB (0.52) SYKPARP1
SCHEMBL31678664 0.69 PARP1 (0.46) ROCK2SYKPARP1
SCHEMBL22583344 0.69 PARP1 (0.46) ROCK2SYKPARP1
SCHEMBL7365153 0.68 LMNA (0.36) TEAD1TEAD3CYP2C9CYP2C19HTR2B
SCHEMBL14334209 0.68 IRAK4 (0.49) TEAD1TEAD3ROCK2PARP1
SCHEMBL7083112 0.67 PARP1 (0.47) SYKPARP1

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-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed