SCHEMBL6509412

SCHEMBL6509412

CCCC(CCC)Oc1ccc(CCOc2ccc3[nH]c(C)nc3c2C)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
SIGMAR1 Q99720 8/20 0.33
ALOX5 P09917 3/20 0.33
PTGES O14684 2/20 0.33
PPARG P37231 2/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL6511752 0.84 HTR2C (0.44) DRD2DRD4DRD3HTR2CSLC6A4
SCHEMBL6509095 0.79 DRD2 (0.40) DRD2DRD4DRD3
SCHEMBL6509735 0.77 SMN1; SMN2 (0.52) DRD2DRD4DRD3PPARG
SCHEMBL6509803 0.67 SMN1; SMN2 (0.50) PPARG
SCHEMBL9529209 0.66 DRD2 (0.71) DRD2DRD4DRD3
SCHEMBL20324712 0.65 ESR1 (0.40) PPARG
SCHEMBL9847101 0.62 ADRB2 (0.42) DRD2DRD4DRD3
SCHEMBL19624143 0.61 TAAR1 (0.42) PPARG
SCHEMBL20324943 0.61 CA1 (0.48) SLC6A4
SCHEMBL8016316 0.60 ADRB2 (0.40)

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-2005108374-A1 INSECTICIDAL DIAZOLE AND TRIAZOLE DERIVATIVES FMC CORPORATION (US) 2005-11-17 WO disclosed