SCHEMBL4055448

SCHEMBL4055448

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCCCC2)c2ccc(F)cc12)C(=O)NCC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.52
KDM4C Q9H3R0 3/20 0.42
CNR2 P34972 2/20 0.40
ROCK1 Q13464 1/20 0.37
P2RX7 Q99572 1/20 0.36
HTR2C P28335 7/20 0.35
SLC6A4 P31645 7/20 0.35
HTR2A P28223 6/20 0.35
GUCY1A1 Q02108 2/20 0.34
GUCY1B1 Q02153 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL4057458 0.93 CNR1 (0.52) CNR1KDM4CCNR2ROCK1P2RX7
SCHEMBL13690583 0.93 CNR1 (0.52) CNR1KDM4CCNR2ROCK1P2RX7
SCHEMBL4052062 0.93 CNR1 (0.49) CNR1KDM4CCNR2ROCK1P2RX7
SCHEMBL4049829 0.92 ROCK1 (0.43) CNR1KDM4CCNR2ROCK1
SCHEMBL13690962 0.92 ROCK1 (0.43) CNR1KDM4CCNR2ROCK1
SCHEMBL4058358 0.91 CNR1 (0.44) CNR1KDM4CCNR2ROCK1HTR2C
SCHEMBL13691249 0.90 CNR1 (0.59) CNR1KDM4CCNR2ROCK1P2RX7
SCHEMBL4050445 0.90 CNR1 (0.59) CNR1KDM4CCNR2ROCK1P2RX7
SCHEMBL4051688 0.89 CNR1 (0.49) CNR1KDM4CCNR2ROCK1P2RX7
SCHEMBL13691250 0.89 CNR1 (0.49) CNR1KDM4CCNR2ROCK1P2RX7

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