SCHEMBL7982398

SCHEMBL7982398

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.35
CETP P11597 1/20 0.35
PTGER1 P34995 5/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34
GPR55 Q9Y2T6 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
DRD1 P21728 1/20 0.33

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
SCHEMBL7986056 0.93 PTGER1 (0.37) CETPPTGER1GAALMNAGPR55
SCHEMBL7982389 0.92 CETP (0.34) CETPPTGER1GAALMNAKMT2A
SCHEMBL7572801 0.89 F2 (0.38) UTS2RCETPPTGER1GAAGPR55
SCHEMBL8047891 0.88 GAA (0.36) UTS2RCETPPTGER1GAALMNA
SCHEMBL7515830 0.88 GAA (0.36) UTS2RCETPPTGER1GAALMNA
SCHEMBL7982400 0.87 F2 (0.39) UTS2RCETPPTGER1GPR55F2
SCHEMBL7986054 0.87 PTGER1 (0.34) CETPPTGER1GAALMNA
SCHEMBL8058096 0.85 CETP (0.38) CETPPTGER1GAAGPR55KMT2A
SCHEMBL7986061 0.84 PTGER1 (0.35) CETPPTGER1F2PRSS1PRSS2
SCHEMBL7209116 0.84 GAA (0.38) CETPPTGER1GAAKMT2ANOTUM

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 disclosed
US-6162817-A Carbamate derivatives of diaryl 1,3,4-oxadiazolone BRISTOL-MYERS SQUIBB COMPANY (US) 2000-12-19 US disclosed