SCHEMBL7982389

SCHEMBL7982389

CNCCN(C)C(=O)Oc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.34
PTGER1 P34995 8/20 0.34
PRMT1 Q99873 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.32
DRD1 P21728 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL7982398 0.92 UTS2R (0.35) CETPPTGER1GAALMNAKMT2A
SCHEMBL7986056 0.90 PTGER1 (0.37) CETPPTGER1GAALMNA
SCHEMBL7986054 0.88 PTGER1 (0.34) CETPPTGER1GAALMNA
SCHEMBL7572801 0.86 F2 (0.38) CETPPTGER1GAAKMT2A
SCHEMBL7982392 0.86 TRPV1 (0.35) CETPPTGER1GAA
SCHEMBL7986061 0.85 PTGER1 (0.35) CETPPTGER1
SCHEMBL7982400 0.84 F2 (0.39) CETPPTGER1
SCHEMBL7209116 0.84 GAA (0.38) CETPPTGER1GAAKMT2ANOTUM
SCHEMBL8058096 0.84 CETP (0.38) CETPPTGER1GAAKMT2ANOTUM
SCHEMBL8047891 0.83 GAA (0.36) CETPPTGER1GAALMNAKMT2A

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
US-6297241-B1 TREATMENT OF DISORDERS WHICH ARE RESPONSIVE TO THE OPENING OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS. BRISTOL-MYERS SQUIBB COMPANY 2001-10-02 US claimed
US-6297241-B1 TREATMENT OF DISORDERS WHICH ARE RESPONSIVE TO THE OPENING OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS. BRISTOL-MYERS SQUIBB COMPANY 2001-10-02 US disclosed