SCHEMBL9865542

SCHEMBL9865542

NC(=O)C(Cl)(Cl)CC1(c2cccc(Cl)c2)CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.38
CHRNA1 P02708 7/20 0.38
CHRNB1 P11230 7/20 0.38
CHRNB2 P17787 7/20 0.38
SLC6A2 P23975 7/20 0.38
CHRNB4 P30926 7/20 0.38
CHRNA3 P32297 7/20 0.38
CHRNA4 P43681 7/20 0.38
SLC6A4 P31645 7/20 0.38
CHRNG P07510 5/20 0.38
CHRND Q07001 5/20 0.38
HSD11B1 P28845 1/20 0.38
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
PARP1 P09874 1/20 0.37
CCR2 P41597 1/20 0.37
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
SCN5A Q14524 3/20 0.34

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
SCHEMBL9865819 0.86 CHRNA1 (0.32) SLC6A3CHRNA1CHRNB1CHRNB2SLC6A2
SCHEMBL9577875 0.81 HTR2C (0.41) SLC6A3CHRNA1CHRNB1CHRNB2SLC6A2
SCHEMBL10561360 0.77 HTR2C (0.38) SLC6A3CHRNA1CHRNB1CHRNB2SLC6A2
SCHEMBL9819493 0.73 SLC6A3 (0.44) SLC6A3CHRNA1CHRNB1CHRNB2SLC6A2
SCHEMBL9865234 0.72
SCHEMBL7787371 0.71 HTR2C (0.43) SLC6A3CHRNA1CHRNB1CHRNB2SLC6A2
SCHEMBL9866573 0.70 CHRNA1 (0.31) SLC6A3CHRNA1CHRNB1CHRNB2SLC6A2
SCHEMBL9864892 0.69 THRB (0.39) SCN5A
SCHEMBL19814395 0.68 PARP1 (0.43) SLC6A3CHRNA1CHRNB1CHRNB2SLC6A2
SCHEMBL27521110 0.68 SLC6A3 (0.43) SLC6A3CHRNA1CHRNB1CHRNB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4929268-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1990-05-29 US claimed
US-5006151-A Herbicides THE DOW CHEMICAL COMPANY (US) 1991-04-09 US disclosed
US-4929268-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1990-05-29 US disclosed