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SCHEMBL4048720

SCHEMBL4048720

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCOCC2)c2ccccc12)C(=O)NCC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 8/20 0.56
▸ CNR2 P34972 4/20 0.51
▸ HTR4 Q13639 5/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HTR3A P46098 1/20 0.43
▸ ROCK1 Q13464 5/20 0.42
▸ ROCK2 O75116 3/20 0.41
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL13691251 0.92 CNR1 (0.52) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4056332 0.92 CNR1 (0.52) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL13690579 0.92 CNR1 (0.54) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4056500 0.92 CNR1 (0.54) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL13691313 0.91 CNR1 (0.67) CNR1CNR2HTR4HTR3AROCK2
SCHEMBL4051743 0.91 CNR1 (0.67) CNR1CNR2HTR4HTR3AROCK2
SCHEMBL4054945 0.91 CNR1 (0.67) CNR1CNR2HTR4HTR3AROCK2
SCHEMBL4056604 0.90 CNR1 (0.56) CNR1CNR2HTR4HTR3AROCK2
SCHEMBL4050831 0.89 CNR1 (0.64) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4052192 0.89 CNR1 (0.44) CNR1CNR2HTR4CYP3A4ROCK1

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