SCHEMBL6140948

SCHEMBL6140948

O=[C]C1(c2ccccc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.43
GRIN1 Q05586 4/20 0.40
GRIN2A Q12879 4/20 0.40
SLC6A4 P31645 2/20 0.40
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
LMNA P02545 2/20 0.40
OPRK1 P41145 1/20 0.40
OPRM1 P35372 1/20 0.40
CACNA1C Q13936 1/20 0.40
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TSHR P16473 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 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
SCHEMBL31459475 0.79 ADRA1A (0.41) HDAC4GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL4555845 0.79 ADRA1A (0.41) HDAC4GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL3863243 0.77 HDAC4 (0.44) HDAC4OPRK1OPRM1HDAC3HDAC1
SCHEMBL6141377 0.76 SLC6A3 (0.45) SLC6A4TSHRPDE7AAHR
SCHEMBL8747130 0.72 HDAC4 (0.45) HDAC4GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL18742441 0.72 HDAC4 (0.41) HDAC4GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL2288498 0.71 ADRA1A (0.42) HDAC4GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL11993802 0.69 HDAC4 (0.44) HDAC4GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL324341 0.69 MEN1 (0.41) OPRK1OPRM1TAAR1
SCHEMBL28689514 0.68 SCD (0.40) HDAC4OPRM1CRHBPCRHR2TAAR1

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-1517881-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES Syngenta Participations AG (CH) 2005-03-30 EP disclosed
WO-2004002943-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 WO disclosed