SCHEMBL4050249

SCHEMBL4050249

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCCCC2)c2ccc(F)cc12)C(=O)NC1CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.50
KDM4C Q9H3R0 3/20 0.44
CNR2 P34972 2/20 0.39
HTR3A P46098 5/20 0.37
MMP2 P08253 3/20 0.37
MMP3 P08254 2/20 0.37
ATM Q13315 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
ROCK1 Q13464 1/20 0.36
IDO1 P14902 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL13690984 1.00 CNR1 (0.50) CNR1KDM4CCNR2HTR3AMMP2
SCHEMBL13691265 0.93 CNR1 (0.50) CNR1KDM4CCNR2HTR3AMMP2
SCHEMBL4053108 0.93 CNR1 (0.50) CNR1KDM4CCNR2HTR3AMMP2
SCHEMBL4059913 0.92 ROCK1 (0.43) CNR1KDM4CCNR2HTR3AROCK1
SCHEMBL13690981 0.92 ROCK1 (0.43) CNR1KDM4CCNR2HTR3AROCK1
SCHEMBL4049364 0.91 CNR1 (0.42) CNR1KDM4CCNR2HTR3AHTR2A
SCHEMBL4050445 0.89 CNR1 (0.59) CNR1KDM4CCNR2HTR2AHTR2C
SCHEMBL13691249 0.89 CNR1 (0.59) CNR1KDM4CCNR2HTR2AHTR2C
SCHEMBL13690556 0.88 CNR1 (0.49) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL4051688 0.88 CNR1 (0.49) CNR1KDM4CCNR2HTR3AHTR2A

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