SCHEMBL9761878

SCHEMBL9761878

CC(=O)N1CCc2c(c(=O)c3cccnc3n2-c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 8/20 0.50
BRD4 O60885 4/20 0.45
CREBBP Q92793 4/20 0.45
TP53 P04637 2/20 0.44
EP300 Q09472 1/20 0.44
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
NPY5R Q15761 1/20 0.40
POLB P06746 1/20 0.40
PPARG P37231 1/20 0.40
MAPT P10636 1/20 0.39
DGAT2 Q96PD7 1/20 0.39

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
SCHEMBL9129169 0.87 BAZ2B (0.45) BRD4CREBBPTP53PDE4BPDE4D
SCHEMBL9131042 0.85 PTGDR2 (0.46) BRD4CREBBPTP53PDE4BPDE4D
SCHEMBL9134935 0.78 MAPT (0.43) TP53PDE4BPDE4DPOLBMAPT
SCHEMBL9727191 0.77 PDE4B (0.41) TP53PDE4BPDE4DTRPV1NPY5R
SCHEMBL10658791 0.74 PDE4B (0.42) TP53PDE4BPDE4DTRPV1NPY5R
SCHEMBL9762008 0.73 MAPT (0.45) BRD4CREBBPTP53POLBMAPT
SCHEMBL10660631 0.72 PDE4B (0.42) TP53PDE4BPDE4DTRPV1NPY5R
SCHEMBL9726939 0.70 MAPT (0.43) TP53PDE4BPDE4DPOLBMAPT
SCHEMBL4194695 0.69 PDE4B (0.47) BRD4TP53PDE4BPDE4DTRPV1
SCHEMBL10655441 0.68 PDE4B (0.42) TP53PDE4BPDE4DTRPV1NPY5R

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
US-4988705-A Antiallergens and -inflammatory agents; hypotensive agents immunological suppression; hyperproliferative skin disorders such as psoriasis SCHERING CORPORATION (US) 1991-01-29 US claimed