SCHEMBL4052192

SCHEMBL4052192

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.44
CNR2 P34972 7/20 0.40
NR3C1 P04150 1/20 0.39
KDM4C Q9H3R0 1/20 0.36
ROCK1 Q13464 5/20 0.35
HTR4 Q13639 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ROCK2 O75116 2/20 0.34

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
SCHEMBL13691001 1.00 CNR1 (0.44) CNR1CNR2NR3C1KDM4CROCK1
SCHEMBL4049829 0.91 ROCK1 (0.43) CNR1CNR2KDM4CROCK1
SCHEMBL13690962 0.91 ROCK1 (0.43) CNR1CNR2KDM4CROCK1
SCHEMBL4056764 0.90 CNR1 (0.49) CNR1CNR2NR3C1KDM4CROCK1
SCHEMBL13690992 0.90 CNR1 (0.49) CNR1CNR2NR3C1KDM4CROCK1
SCHEMBL4056771 0.89 CNR1 (0.41) CNR1CNR2NR3C1KDM4CROCK1
SCHEMBL13690996 0.89 CNR1 (0.41) CNR1CNR2NR3C1KDM4CROCK1
SCHEMBL13690953 0.89 CNR1 (0.41) CNR1CNR2NR3C1KDM4CROCK1
SCHEMBL4048720 0.89 CNR1 (0.56) CNR1CNR2ROCK1HTR4CYP3A4
SCHEMBL4051703 0.88 CNR1 (0.40) CNR1CNR2NR3C1KDM4CROCK1

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