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SCHEMBL4048901

SCHEMBL4048901

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(=O)NC1CC1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.65
▸ CNR2 P34972 2/20 0.51
▸ HTR3A P46098 6/20 0.46
▸ MMP2 P08253 6/20 0.43
▸ MMP3 P08254 3/20 0.43
▸ HTR4 Q13639 3/20 0.42
▸ ACHE P22303 1/20 0.42
▸ ROCK2 O75116 1/20 0.41

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
SCHEMBL4050767 1.00 CNR1 (0.65) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL4053265 0.91 CNR1 (0.54) CNR1CNR2HTR3AHTR4ROCK2
SCHEMBL4056649 0.91 CNR1 (0.67) CNR1CNR2HTR3AHTR4ACHE
SCHEMBL13691305 0.90 CNR1 (0.54) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL4050703 0.89 CNR1 (0.54) CNR1CNR2HTR3AHTR4ROCK2
SCHEMBL13690582 0.89 CNR1 (0.51) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL4051967 0.89 CNR1 (0.51) CNR1CNR2HTR3AMMP2MMP3
SCHEMBL4050497 0.89 CNR1 (0.69) CNR1CNR2HTR3AHTR4ACHE
SCHEMBL13690922 0.89 CNR1 (0.69) CNR1CNR2HTR3AHTR4ACHE
SCHEMBL4055682 0.88 CNR1 (0.50) 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