SCHEMBL8918031

SCHEMBL8918031

C#CCOc1cc(C2CC2)c(F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.40
LMNA P02545 1/20 0.39
HTR2C P28335 3/20 0.38
HTR2B P41595 2/20 0.38
HTR2A P28223 2/20 0.38
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
NR1I2 O75469 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
TACR2 P21452 1/20 0.34
DRD1 P21728 1/20 0.34
ADORA1 P30542 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR6 P50406 1/20 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
SCHEMBL9271367 0.75 PGK1 (0.43) PGK1LMNAHTR2CHTR2BHTR2A
SCHEMBL4592760 0.75 PGK1 (0.43) PGK1LMNAHTR2CHTR2BHTR2A
SCHEMBL10743753 0.73 HTR2C (0.33) PGK1LMNAHTR2CHTR2BHTR2A
SCHEMBL16774344 0.73 PGK1 (0.53) PGK1LMNAHTR2CHTR2BHTR2A
SCHEMBL30532356 0.73 PPOX (0.32) PGK1PPOX
SCHEMBL4593568 0.72 LMNA (0.41) PGK1LMNAHTR2CHTR2ASLC6A2
SCHEMBL7081041 0.72 LMNA (0.41) PGK1LMNAHTR2CHTR2ASLC6A2
SCHEMBL6736259 0.72 PGK1 (0.44) PGK1LMNAHTR2CHTR2BHTR2A
SCHEMBL8100657 0.71 PPOX (0.35) PGK1PPOX
SCHEMBL8878184 0.71 SCN9A (0.37) PGK1LMNADRD3KCNH2SCN9A

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-5700761-A PREEMERGENCE, POSTEMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-23 US disclosed