SCHEMBL17469148

SCHEMBL17469148

CCN1Cc2ccccc2OC(c2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.42
S1PR5 Q9H228 1/20 0.41
GRIA2 P42262 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAOB P27338 5/20 0.40
MAOA P21397 4/20 0.40
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP8 Q14790 1/20 0.38
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
NAAA Q02083 1/20 0.37
CXCR1 P25024 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL17469138 0.91 DRD2 (0.36) KCNH2PRMT5WDR77
SCHEMBL17459309 0.86 LTA4H (0.40) MAOB
SCHEMBL17469139 0.82 MAOB (0.43) MAOB
SCHEMBL17469146 0.82 DRD3 (0.40)
SCHEMBL17469070 0.80 GUSB (0.41) ALDH1A1
SCHEMBL17469159 0.80 ALDH1A1 (0.39) KCNH2PRMT5WDR77ALDH1A1
SCHEMBL17469153 0.80 HTR2C (0.38) PRMT5WDR77ALDH1A1
SCHEMBL17469144 0.80 LTA4H (0.34) MAOB
SCHEMBL17469152 0.80 SLC6A2 (0.35) MAOB
SCHEMBL17469072 0.80 GLP1R (0.35) MAOB

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
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed