SCHEMBL4049686

SCHEMBL4049686

Cc1ccc2c(c1)c(C(=O)N[C@H](C(=O)NC1CC1)C(C)(C)C)nn2CCCCC#N

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.45
CNR2 P34972 6/20 0.45
HTR3A P46098 5/20 0.37
F10 P00742 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34
MMP2 P08253 3/20 0.33
MMP3 P08254 1/20 0.33
CREBBP Q92793 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
SCHEMBL4057565 0.97 CNR1 (0.43) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL4053731 0.91 CNR1 (0.44) CNR1CNR2HTR3AF10
SCHEMBL4049656 0.91 CNR1 (0.44) CNR1CNR2HTR3AF10
SCHEMBL4051379 0.88 CNR1 (0.43) CNR1CNR2HTR3AF10MMP2
SCHEMBL4050243 0.87 CNR1 (0.49) CNR1CNR2CREBBP
SCHEMBL13690916 0.87 HTR3A (0.48) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL4052822 0.86 CNR1 (0.60) CNR1CNR2
SCHEMBL4059874 0.86 CNR1 (0.44) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL4056242 0.86 CNR1 (0.56) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL13690563 0.86 CNR1 (0.56) CNR1CNR2HTR3AMMP2MMP3

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