SCHEMBL7986056

SCHEMBL7986056

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.37
CYP2C9 P11712 1/20 0.36
HTR2C P28335 2/20 0.36
SLC6A4 P31645 2/20 0.36
CETP P11597 1/20 0.34
GAA P10253 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 1/20 0.33
AHCY P23526 1/20 0.32
GPR55 Q9Y2T6 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 0.93 UTS2R (0.35) PTGER1CETPGAALMNAGPR55
SCHEMBL7986061 0.91 PTGER1 (0.35) PTGER1CYP2C9HTR2CSLC6A4CETP
SCHEMBL7986054 0.91 PTGER1 (0.34) PTGER1CYP2C9HTR2CSLC6A4CETP
SCHEMBL7982389 0.90 CETP (0.34) PTGER1CETPGAALMNA
SCHEMBL7572801 0.83 F2 (0.38) PTGER1CETPGAAGPR55
SCHEMBL8058096 0.83 CETP (0.38) PTGER1CETPGAAGPR55
SCHEMBL8047891 0.83 GAA (0.36) PTGER1CETPGAALMNAGPR55
SCHEMBL7515830 0.83 GAA (0.36) PTGER1CETPGAALMNA
SCHEMBL7982400 0.82 F2 (0.39) PTGER1CETPGPR55
SCHEMBL7209116 0.82 GAA (0.38) PTGER1CETPGAA

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-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