SCHEMBL7262101

SCHEMBL7262101

C=Cc1ccc(CN2CCN(c3cc4c(cc3F)c(=O)ccn4CC)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.42
▸ THRB P10828 5/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP2J2 P51589 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL2970505 0.82 DRD3 (0.67) DRD3HSD17B10MEN1KMT2ALMNA
SCHEMBL4241160 0.81 DRD3 (0.60) GAADRD3RAD52MEN1KMT2A
SCHEMBL7263223 0.81 HSD17B10 (0.51) GAADRD3HSD17B10RAD52MEN1
SCHEMBL7262142 0.77 HSD17B10 (0.61) GAATHRBDRD3HSD17B10RAD52
SCHEMBL30539981 0.77 HSD17B10 (0.61) GAATHRBDRD3HSD17B10RAD52
SCHEMBL30570719 0.77 HSD17B10 (0.53) GAADRD3HSD17B10RAD52MEN1
SCHEMBL29053157 0.77 HSD17B10 (0.53) GAADRD3HSD17B10RAD52MEN1
SCHEMBL14585969 0.73 HRH3 (0.49) GAATHRBHSD17B10LMNAKDM4E
SCHEMBL26193832 0.72 DRD3 (0.72) DRD3HSD17B10MEN1KMT2ALMNA
SCHEMBL25380525 0.71 DRD3 (0.71) DRD3HSD17B10MEN1KMT2ALMNA

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-2003064412-A1 MONOMER WITH ANTI-MICROBIAL CHARACTER, POLYMER USING THE SAME, AND MANUFACTURING METHOD THEREOF MICRO SCIENCE TECH CO., LTD. (KR) 2003-08-07 — — WO disclosed
Send feedback