SCHEMBL9783252

SCHEMBL9783252

CCCCB(c1ccccc1)c1cccc(CCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.51
LIPG Q9Y5X9 2/20 0.51
PCSK9 Q8NBP7 1/20 0.46
DRD2 P14416 4/20 0.42
OPRM1 P35372 4/20 0.42
DRD3 P35462 4/20 0.42
OPRD1 P41143 4/20 0.42
OPRK1 P41145 4/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
KCNH2 Q12809 1/20 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
SCHEMBL6663731 0.82 PCSK9 (0.63) LPLLIPGPCSK9SIGMAR1
SCHEMBL5710442 0.77 PCSK9 (0.55) LPLLIPGPCSK9DRD2DRD3
Tetrabuthylammonium SCHEMBL5468630 0.75 LPL (0.45) LPLLIPGPCSK9SIGMAR1KCNH2
SCHEMBL5802656 0.75 PCSK9 (0.53) LPLLIPGPCSK9DRD2DRD3
SCHEMBL1040896 0.75 MAOA (0.50) MAOAMAOBSIGMAR1
SCHEMBL23367835 0.75 PCSK9 (0.53) LPLLIPGPCSK9DRD2DRD3
SCHEMBL6661937 0.75 PCSK9 (0.53) LPLLIPGPCSK9DRD2DRD3
Water SCHEMBL28757872 0.73 MAOA (0.48) MAOAMAOBSIGMAR1
SCHEMBL28275035 0.73 SIGMAR1 (0.50) MAOAMAOBSIGMAR1
SCHEMBL14085646 0.73 PCSK9 (0.52) PCSK9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5051514-A Complexing boranes and imidazoles CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-09-24 US disclosed
EP-0432987-A2 Fungicidal organoborane imidazole compounds and intermediates therefor CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-06-19 EP disclosed
US-4983589-A Fungicidal imidazole diphenylaliphaticboranes and derivatives thereof CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-01-08 US disclosed