SCHEMBL6506398

SCHEMBL6506398

CCCCOc1c(C)cc(CCNc2c(F)ccc3[nH]c(C)nc23)cc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.34
HRH3 Q9Y5N1 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GALR3 O60755 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CNR2 P34972 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 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
SCHEMBL6508657 0.69 SMN1; SMN2 (0.45) DRD2DRD4DRD3KDM4EMEN1
SCHEMBL6507837 0.65 SMN1; SMN2 (0.47) DRD2DRD4DRD3MEN1TSHR
SCHEMBL6509803 0.63 SMN1; SMN2 (0.50) MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL5145745 0.63 HRH3 (0.38) HRH3KDM4ESMN1; SMN2HSD17B10CNR2
SCHEMBL27156172 0.62 ADRB2 (0.48) KDM4EPOLBTSHRHTTHSD17B10
SCHEMBL14154503 0.61 S1PR2 (0.44) KDM4ELMNAS1PR2S1PR1S1PR3
SCHEMBL6509735 0.60 SMN1; SMN2 (0.52) DRD2DRD4DRD3MEN1TSHR
SCHEMBL5146649 0.60 SMN1; SMN2 (0.47) DRD2DRD3KDM4ELMNATSHR
SCHEMBL12440347 0.60 ADRB2 (0.49) DRD2DRD4DRD3KDM4EPOLB
SCHEMBL11586422 0.60 KMT2A (0.46) DRD2KDM4EMEN1LMNAKMT2A

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