SCHEMBL4062007

SCHEMBL4062007

COc1ccc(C2(C#N)CCc3ncncc3C2)c2c1oc1ccc(C(F)(F)F)cc12

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.31

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
SCHEMBL4060696 0.88 HRH4 (0.37) HRH4
SCHEMBL4018297 0.86 CYP17A1 (0.33)
SCHEMBL4052797 0.85 PDE4D (0.38)
SCHEMBL4235894 0.85 HRH4 (0.35) HRH4
SCHEMBL4239976 0.81 PDE4A (0.39) HRH4
SCHEMBL4051940 0.79 PDE4D (0.48)
SCHEMBL4060397 0.75 DDB1 (0.33) HRH4
SCHEMBL4013156 0.74 HRH4 (0.33) HRH4
SCHEMBL4053847 0.73 CCR2 (0.33)
SCHEMBL4540659 0.73 KDM4E (0.32)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 WO disclosed