SCHEMBL7828519

SCHEMBL7828519

CCS(=O)(=O)C(CCC(F)(F)F)NC1CC(C)(C)Oc2ccc(F)cc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.45
CYP3A4 P08684 1/20 0.40
CTSD P07339 3/20 0.39
BACE1 P56817 3/20 0.39
KCNE1 P15382 3/20 0.39
KCNQ1 P51787 3/20 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
SCHEMBL8480422 0.80 TRPV1 (0.50) TRPV1CYP3A4CTSDBACE1KCNE1
SCHEMBL8477265 0.80 TRPV1 (0.49) TRPV1CYP3A4CTSDBACE1KCNE1
SCHEMBL6559589 0.77 TRPV1 (0.52) TRPV1CYP3A4KCNE1KCNQ1
SCHEMBL8480828 0.75 TRPV1 (0.47) TRPV1CYP3A4CTSDBACE1KCNE1
SCHEMBL8482576 0.74 TRPV1 (0.49) TRPV1CYP3A4
SCHEMBL8481888 0.74 TRPV1 (0.50) TRPV1CYP3A4
SCHEMBL8476611 0.72 TRPV1 (0.49) TRPV1CYP3A4CTSDBACE1
SCHEMBL8481518 0.72 TRPV1 (0.43) TRPV1CYP3A4
SCHEMBL8476544 0.72 TRPV1 (0.44) TRPV1CYP3A4
SCHEMBL8476857 0.72 TRPV1 (0.44) TRPV1CYP3A4

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-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US claimed