SCHEMBL4051379

SCHEMBL4051379

CC(C)(C)[C@H](NC(=O)c1nn(CCCCC#N)c2ccc(Cl)cc12)C(=O)NC1CCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.43
CNR2 P34972 4/20 0.43
HTR3A P46098 4/20 0.39
F10 P00742 3/20 0.37
MMP2 P08253 5/20 0.35
MMP3 P08254 3/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 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
SCHEMBL4049656 0.97 CNR1 (0.44) CNR1CNR2HTR3AF10JAK2
SCHEMBL4057565 0.91 CNR1 (0.43) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL13690948 0.90 HTR3A (0.47) CNR1CNR2HTR3AF10MMP2
SCHEMBL13690563 0.89 CNR1 (0.56) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL4056242 0.89 CNR1 (0.56) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL4049686 0.88 CNR1 (0.45) CNR1CNR2HTR3AF10MMP2
SCHEMBL4053731 0.87 CNR1 (0.44) CNR1CNR2HTR3AF10
SCHEMBL13690941 0.87 CNR1 (0.47) CNR1CNR2HTR3AF10MMP2
SCHEMBL4051609 0.86 CNR1 (0.48) CNR1CNR2
SCHEMBL13690956 0.86 CNR1 (0.48) CNR1CNR2

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