SCHEMBL8714601

SCHEMBL8714601

CCCC(COc1ccc2c(c1)[nH]c1ccccc12)=C1CC2CCN1CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KIF11 P52732 5/20 0.39
▸ CTSV O60911 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ DRD3 P35462 4/20 0.37
▸ FAAH O00519 3/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ GABRP O00591 3/20 0.35
▸ GABRD O14764 3/20 0.35
▸ GABRA1 P14867 3/20 0.35
▸ GABRB1 P18505 3/20 0.35
▸ GABRG2 P18507 3/20 0.35
▸ GABRB3 P28472 3/20 0.35
▸ GABRA5 P31644 3/20 0.35
▸ GABRA3 P34903 3/20 0.35
▸ GABRA2 P47869 3/20 0.35
▸ GABRB2 P47870 3/20 0.35
▸ GABRA4 P48169 3/20 0.35
▸ GABRE P78334 3/20 0.35

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
SCHEMBL8711566 0.94 THRB (0.51) THRBHTTKIF11CTSVCTSL
SCHEMBL8714061 0.88 THRB (0.53) THRBHTTKIF11CTSVCTSL
Hydrochloric Acid SCHEMBL8712061 0.87 THRB (0.52) THRBHTTKIF11CTSVCTSL
SCHEMBL8715349 0.86 THRB (0.53) THRBHTTKIF11CTSVCTSL
SCHEMBL8716933 0.85 THRB (0.63) THRBHTTKIF11CTSVCTSL
Hydrochloric Acid SCHEMBL8714082 0.84 THRB (0.62) THRBHTTKIF11CTSVCTSL
SCHEMBL8901219 0.80 THRB (0.73) THRBHTTKIF11CTSVCTSL
SCHEMBL8901224 0.80 THRB (0.73) THRBHTTKIF11CTSVCTSL
SCHEMBL8711612 0.74 THRB (0.47) THRBHTTKIF11CTSVCTSL
SCHEMBL8899607 0.74 THRB (0.74) THRBHTTKIF11CTSVCTSL

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
US-5830902-A SQUALENE SYNTHASE INHIBITOR YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-03 — — US disclosed
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