SCHEMBL7683329

SCHEMBL7683329

Fc1ccc(-c2cc[c]cc2OC(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.43
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDO2 P48775 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 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
SCHEMBL7683011 0.81 PDE4B (0.39) DRD1ROCK2
SCHEMBL4463855 0.80 DRD1 (0.35) DRD1
SCHEMBL9416117 0.79 SQOR (0.40)
SCHEMBL8802236 0.79 DRD1 (0.45) DRD1HTTSMN1; SMN2
SCHEMBL7683506 0.77 PDE3B (0.40) SMN1; SMN2
SCHEMBL900876 0.76 KMT2A (0.34) HTTSMN1; SMN2
SCHEMBL7683316 0.75 KCNN4 (0.42) DRD1HTTSMN1; SMN2
SCHEMBL27269465 0.74 PTGS2 (0.43)
SCHEMBL900766 0.74 DRD1 (0.30) DRD1
SCHEMBL534483 0.74 DRD1 (0.58) DRD1HTTSMN1; SMN2

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
US-6476061-B1 Fungicides containing pyrrolidones as their active agents BASF AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed