SCHEMBL4048374

SCHEMBL4048374

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCOCC2)c2ccc(F)cc12)C(=O)NCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.44
CNR1 P21554 6/20 0.40
CNR2 P34972 5/20 0.40
KDM4C Q9H3R0 3/20 0.39
GRM4 Q14833 4/20 0.36
SLC2A1 P11166 1/20 0.36
SLC2A2 P11168 1/20 0.36
SLC2A3 P11169 1/20 0.36
HTR4 Q13639 2/20 0.36
CYP3A4 P08684 1/20 0.36
HTR3A P46098 1/20 0.35

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
SCHEMBL13690924 1.00 ROCK1 (0.44) ROCK1CNR1CNR2KDM4CGRM4
SCHEMBL13690962 0.93 ROCK1 (0.43) ROCK1CNR1CNR2KDM4CGRM4
SCHEMBL4049829 0.93 ROCK1 (0.43) ROCK1CNR1CNR2KDM4CGRM4
SCHEMBL4052062 0.92 CNR1 (0.49) ROCK1CNR1CNR2KDM4C
SCHEMBL13690964 0.90 ROCK1 (0.47) ROCK1CNR1CNR2KDM4CGRM4
SCHEMBL4057153 0.90 ROCK1 (0.47) ROCK1CNR1CNR2KDM4CGRM4
SCHEMBL13690967 0.89 ROCK1 (0.46) ROCK1CNR1CNR2KDM4CGRM4
SCHEMBL4053150 0.89 ROCK1 (0.46) ROCK1CNR1CNR2KDM4CGRM4
SCHEMBL4059913 0.89 ROCK1 (0.43) ROCK1CNR1CNR2KDM4CHTR4
SCHEMBL13690981 0.89 ROCK1 (0.43) ROCK1CNR1CNR2KDM4CHTR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO claimed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed