SCHEMBL20076404

SCHEMBL20076404

C=C(C)C1C(c2ccc(F)c(C)c2)C1(C)Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.50
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRND Q07001 1/20 0.30

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
SCHEMBL20076685 1.00 SLC9A1 (0.50) SLC9A1HTR2AHTR2CHTR2BSLC6A2
SCHEMBL20076441 0.87 SLC9A1 (0.48) SLC9A1HTR2AHTR2CHTR2BSLC6A2
SCHEMBL20076502 0.86 SLC9A1 (0.35) SLC9A1HTR2AHTR2CHTR2B
SCHEMBL20076567 0.85 SLC9A1 (0.36) SLC9A1SLC6A2SLC6A3SLC6A4
SCHEMBL20076385 0.85 SLC9A1 (0.59) SLC9A1HTR2AHTR2CHTR2BSLC6A2
SCHEMBL21022053 0.82 SLC9A1 (0.33) SLC9A1SLC6A2SLC6A3SLC6A4
SCHEMBL21020939 0.82 SLC9A1 (0.35) SLC9A1
SCHEMBL21021428 0.81 CES2 (0.32) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL21020851 0.81 SLC6A2 (0.35) SLC9A1SLC6A2SLC6A3SLC6A4CHRNA1
SCHEMBL20076832 0.79 SLC9A1 (0.43) SLC9A1HTR2AHTR2CHTR2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed
WO-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed