SCHEMBL4057153

SCHEMBL4057153

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.47
CNR1 P21554 6/20 0.40
CNR2 P34972 5/20 0.40
KDM4C Q9H3R0 3/20 0.37
HTR3A P46098 2/20 0.36
GRM4 Q14833 2/20 0.36
ROCK2 O75116 1/20 0.35
HTR4 Q13639 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
SCHEMBL13690964 1.00 ROCK1 (0.47) ROCK1CNR1CNR2KDM4CHTR3A
SCHEMBL13690967 0.95 ROCK1 (0.46) ROCK1CNR1CNR2KDM4CHTR3A
SCHEMBL4053150 0.95 ROCK1 (0.46) ROCK1CNR1CNR2KDM4CHTR3A
SCHEMBL13690641 0.94 ROCK1 (0.47) ROCK1CNR1CNR2HTR3AGRM4
SCHEMBL4053793 0.94 ROCK1 (0.47) ROCK1CNR1CNR2HTR3AGRM4
SCHEMBL13691250 0.92 CNR1 (0.49) ROCK1CNR1CNR2KDM4CHTR3A
SCHEMBL4051688 0.92 CNR1 (0.49) ROCK1CNR1CNR2KDM4CHTR3A
SCHEMBL4056771 0.91 CNR1 (0.41) ROCK1CNR1CNR2KDM4CHTR3A
SCHEMBL13690996 0.91 CNR1 (0.41) ROCK1CNR1CNR2KDM4CHTR3A
SCHEMBL4048374 0.90 ROCK1 (0.44) ROCK1CNR1CNR2KDM4CHTR3A

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