SCHEMBL326475

SCHEMBL326475

CS(=O)(=O)CC(=O)NC1CCc2cc(C3=NCC(c4cc(C(F)(F)F)nc(C(F)(F)F)c4)(C(F)(F)F)C3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.39
CA12 O43570 4/20 0.36
CA7 P43166 4/20 0.36
CA14 Q9ULX7 4/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
GRIA2 P42262 1/20 0.34
BDKRB1 P46663 3/20 0.33
PTGS2 P35354 3/20 0.33
PDE2A O00408 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 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
SCHEMBL326134 0.81 CYP11B2 (0.45) TRPV1CYP11B1CYP11B2
SCHEMBL15516270 0.80 CYP11B2 (0.40) BDKRB1CYP11B1CYP11B2
SCHEMBL807572 0.79 CYP11B2 (0.41) BDKRB1CYP11B1CYP11B2
SCHEMBL12745005 0.78 BDKRB1 (0.37) TRPV1BDKRB1
SCHEMBL324862 0.78 CYP11B2 (0.41) BDKRB1CYP11B1CYP11B2
SCHEMBL326937 0.78 BDKRB1 (0.36) TRPV1BDKRB1CYP11B1CYP11B2
SCHEMBL324952 0.77 BDKRB1 (0.37) TRPV1BDKRB1CYP11B1CYP11B2
SCHEMBL12745124 0.77 CA12 (0.41) TRPV1CA12CA7CA14CA1
SCHEMBL327626 0.76 CA12 (0.40) TRPV1CA12CA7CA14CA1
SCHEMBL3462517 0.76 BDKRB1 (0.40) BDKRB1

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
WO-2012004326-A1 PESTICIDAL PYRROLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-01-12 WO disclosed