SCHEMBL30778487

SCHEMBL30778487

CC(C)Oc1cc(C(F)(F)F)ncc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.36
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
TRPA1 O75762 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
P2RX3 P56373 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
SLC6A9 P48067 2/20 0.31
CA2 P00918 1/20 0.31
CHKA P35790 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31

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
SCHEMBL30778502 0.85 RXRA (0.33) TRPA1TRPV4CA2CHKARXRA
SCHEMBL31045864 0.81 PDE10A (0.43) PTGS1PTGS2TSHRTRPV4CA2
SCHEMBL2998384 0.74 HSP90AA1 (0.38) TRPV4CA2CHKA
SCHEMBL30456789 0.74 HSP90AA1 (0.38) TRPV4CA2CHKA
SCHEMBL22234714 0.74 ALOX5AP (0.38) HTR2AHTR2CHTR2BP2RX3
SCHEMBL26598644 0.74 KCNQ3 (0.40) HTR2AHTR2CHTR2BP2RX3
SCHEMBL23908261 0.71 PDE2A (0.37) CYP2C19CYP3A4CYP2D6TSHRCRHBP
SCHEMBL20972087 0.71 PDE2A (0.37) CYP2C19CYP3A4CYP2D6TSHRCRHBP
SCHEMBL22438785 0.71 PDE2A (0.37) CYP2C19CYP3A4CYP2D6TSHRCRHBP
SCHEMBL7916902 0.70 PDE10A (0.40) PTGS1PTGS2TSHRP2RX3TRPV4

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-2024022910-A1 1-[1-[2-(PYRIMIDIN-4-YL)-1,2,4-TRIAZOL-3-YL]ETHYL]-3-[2,4-DICHLORO-5-PHENYL]UREA DERIVATIVES AND SIMILAR COMPOUNDS AS PESTICIDES SYNGENTA CROP PROTECTION AG (CH) 2024-02-01 WO disclosed