SCHEMBL4056771

SCHEMBL4056771

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.41
CNR2 P34972 6/20 0.40
NR3C1 P04150 1/20 0.40
ROCK1 Q13464 6/20 0.38
KDM4C Q9H3R0 1/20 0.37
HTR4 Q13639 3/20 0.36
ROCK2 O75116 2/20 0.36
HTR3A P46098 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MMP1 P03956 1/20 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
SCHEMBL13690996 1.00 CNR1 (0.41) CNR1CNR2NR3C1ROCK1KDM4C
SCHEMBL4051703 0.95 CNR1 (0.40) CNR1CNR2NR3C1ROCK1KDM4C
SCHEMBL13690953 0.93 CNR1 (0.41) CNR1CNR2NR3C1ROCK1KDM4C
SCHEMBL4057153 0.91 ROCK1 (0.47) CNR1CNR2ROCK1KDM4CHTR4
SCHEMBL13690964 0.91 ROCK1 (0.47) CNR1CNR2ROCK1KDM4CHTR4
SCHEMBL4053902 0.90 CNR1 (0.39) CNR1CNR2NR3C1ROCK1KDM4C
SCHEMBL13690973 0.90 CNR1 (0.39) CNR1CNR2NR3C1ROCK1KDM4C
SCHEMBL4052192 0.89 CNR1 (0.44) CNR1CNR2NR3C1ROCK1KDM4C
SCHEMBL13691001 0.89 CNR1 (0.44) CNR1CNR2NR3C1ROCK1KDM4C
SCHEMBL4055157 0.89 CNR1 (0.52) CNR1CNR2ROCK1HTR4ROCK2

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