SCHEMBL5707864

SCHEMBL5707864

CCC(C)N1[CH]Sc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.38
▸ BCHE P06276 6/20 0.38
▸ MAPT P10636 3/20 0.38
▸ PTGS1 P23219 3/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ CYP2D6 P10635 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ ALOX15 P16050 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ ACHE P22303 3/20 0.37
▸ CHRM2 P08172 3/20 0.37
▸ HTR1A P08908 3/20 0.37
▸ ADRA2A P08913 3/20 0.37
▸ CHRM1 P11229 3/20 0.37
▸ DRD1 P21728 3/20 0.37
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A4 P31645 3/20 0.37
▸ ADRA1A P35348 3/20 0.37
▸ OPRM1 P35372 3/20 0.37
▸ DRD3 P35462 3/20 0.37

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
SCHEMBL10969346 0.71 BCHE (0.41) BCHEMAPTPTGS1PTGS2CYP2D6
SCHEMBL12386881 0.70 PTGS1 (0.51) MAOABCHEMAPTPTGS1PTGS2
SCHEMBL2301947 0.70 MAOA (0.48) MAOABCHEMAPTPTGS1PTGS2
SCHEMBL9771541 0.69 MAOA (0.39) MAOABCHEMAPTPTGS1PTGS2
SCHEMBL18660392 0.66 PDF (0.42) MAOABCHEMAPTCYP2D6ALDH1A1
SCHEMBL1412805 0.65 BCHE (0.41) BCHECYP2D6ALDH1A1HSD17B10HTR1A
SCHEMBL14685813 0.62 ADRA2B (0.36) MAPTCYP2D6ALDH1A1ALOX15HSD17B10
SCHEMBL2683324 0.62 BCHE (0.39) MAOABCHEACHEADRA2ASLC6A2
SCHEMBL1143802 0.62 MAOA (0.39) MAOABCHEMAPTPTGS1PTGS2
SCHEMBL21255620 0.61 CNR2 (0.37) ALDH1A1HTR1ADRD3KDM4ETP53

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-1696265-A2 Hologram recording material, hologram recording method, optical recording medium, and dye therefor FUJI PHOTO FILM CO., LTD. (JP) 2006-08-30 — — EP disclosed
US-20060188789-A1 Hologram recording material, hologram recording method, optical recording medium, and dye therefor FUJI PHOTO FILM CO., LTD. 2006-08-24 — — US disclosed
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