SCHEMBL326134

SCHEMBL326134

CCC(=O)NC1CCc2cc(C3=NCC(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)(C(F)(F)F)C3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 16/20 0.45
CYP11B1 P15538 14/20 0.45
TRPV1 Q8NER1 1/20 0.38
CCR2 P41597 3/20 0.37

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
SCHEMBL807572 0.91 CYP11B2 (0.41) CYP11B2CYP11B1
SCHEMBL15516270 0.90 CYP11B2 (0.40) CYP11B2CYP11B1
SCHEMBL324862 0.89 CYP11B2 (0.41) CYP11B2CYP11B1
SCHEMBL326937 0.82 BDKRB1 (0.36) CYP11B2CYP11B1TRPV1CCR2
SCHEMBL324952 0.82 BDKRB1 (0.37) CYP11B2CYP11B1TRPV1
SCHEMBL12745005 0.82 BDKRB1 (0.37) TRPV1
SCHEMBL326475 0.81 TRPV1 (0.39) CYP11B2CYP11B1TRPV1
SCHEMBL327626 0.81 CA12 (0.40) CYP11B2CYP11B1TRPV1CCR2
SCHEMBL325428 0.80 BDKRB1 (0.39)
SCHEMBL12745124 0.80 CA12 (0.41) TRPV1

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