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SCHEMBL4049649

SCHEMBL4049649

CC(C)[C@H](NC(=O)c1nn(CCCCC#N)c2ccccc12)C(N)=O

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 12/20 0.80
▸ CNR2 P34972 9/20 0.78
▸ KDM4E B2RXH2 1/20 0.46
▸ HTR3A P46098 2/20 0.44
▸ CFD P00746 1/20 0.42
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ PARP1 P09874 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
SCHEMBL4055519 0.97 CNR1 (0.79) CNR1CNR2KDM4EHTR3ACFD
SCHEMBL29361630 0.89 CNR1 (1.00) CNR1CNR2KDM4EHTR3ACFD
SCHEMBL31052997 0.89 CNR1 (1.00) CNR1CNR2KDM4EHTR3ACFD
SCHEMBL17600563 0.89 CNR1 (1.00) CNR1CNR2KDM4EHTR3ACFD
SCHEMBL17613431 0.88 CNR1 (0.83) CNR1CNR2KDM4EHTR3ACFD
SCHEMBL29019203 0.88 CNR1 (0.98) CNR1CNR2KDM4EHTR3A
SCHEMBL4054847 0.87 CNR1 (0.78) CNR1CNR2KDM4EHTR3A
SCHEMBL17613430 0.87 CNR1 (0.81) CNR1CNR2KDM4EHTR3ACFD
SCHEMBL21140768 0.87 CNR1 (1.00) CNR1CNR2KDM4EHTR3A
SCHEMBL30032574 0.87 CNR1 (0.81) CNR1CNR2KDM4EHTR3ACFD

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