SCHEMBL7982392

SCHEMBL7982392

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

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
PTGER1 P34995 3/20 0.35
CETP P11597 1/20 0.34
GAA P10253 1/20 0.34
PTGER4 P35408 1/20 0.34

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
SCHEMBL7982400 0.91 F2 (0.39) TRPV1PTGER1CETP
SCHEMBL7572801 0.89 F2 (0.38) PTGER1CETPGAAPTGER4
SCHEMBL7979267 0.88 PTGER1 (0.34) TRPV1PTGER1CETP
SCHEMBL7986061 0.86 PTGER1 (0.35) TRPV1PTGER1CETP
SCHEMBL7982389 0.86 CETP (0.34) PTGER1CETPGAA
SCHEMBL7505090 0.85 PTGER1 (0.38) PTGER1CETPGAA
SCHEMBL7505088 0.85 PTGER1 (0.38) PTGER1CETPGAA
SCHEMBL7507860 0.85 CD274 (0.47) GAA
SCHEMBL7209116 0.84 GAA (0.38) PTGER1CETPGAA
SCHEMBL8058096 0.84 CETP (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 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