SCHEMBL20076845

SCHEMBL20076845

C=C(C)CCN(C(=C)c1cc(N)ccc1Cl)c1ccc(F)cc1C#N

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.33
HRH4 Q9H3N8 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
SCHEMBL20045600 0.78 GPBAR1 (0.37) GPBAR1
SCHEMBL20076652 0.77 TSHR (0.31)
SCHEMBL20045597 0.76 GPBAR1 (0.37) GPBAR1
SCHEMBL20901186 0.76 GPBAR1 (0.37) GPBAR1
SCHEMBL30739630 0.76 GPBAR1 (0.36) GPBAR1
SCHEMBL20045595 0.76 GPBAR1 (0.36) GPBAR1
SCHEMBL21022149 0.75 VCAM1 (0.43)
SCHEMBL20045596 0.74 GPBAR1 (0.36) GPBAR1
SCHEMBL30739658 0.74 GPBAR1 (0.36) GPBAR1
SCHEMBL18146167 0.74 GPBAR1 (0.37) GPBAR1

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-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed