Sugi Predict

Sugi Predict / Compounds / SCHEMBL7920178

SCHEMBL7920178

SCHEMBL7920178

CC[C@@H]1CC[C@@H]2CC(c3ccc4cc(C(F)(F)F)ccc4c3)CCC2C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 10/20 0.38
▸ SLC6A2 P23975 9/20 0.38
▸ SLC6A3 Q01959 9/20 0.38
▸ IDO1 P14902 1/20 0.36
▸ DGAT1 O75907 2/20 0.36
▸ SOAT1 P35610 1/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ HTR2C P28335 2/20 0.33
▸ TEAD1 P28347 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
SCHEMBL7920179 1.00 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3IDO1DGAT1
SCHEMBL6460852 0.90 ALDH1A1 (0.38) SLC6A4SLC6A2SLC6A3IDO1DGAT1
SCHEMBL6460854 0.90 ALDH1A1 (0.38) SLC6A4SLC6A2SLC6A3IDO1DGAT1
SCHEMBL6456957 0.88 DRD2 (0.36) SLC6A4SLC6A2SLC6A3IDO1DGAT1
SCHEMBL6456961 0.88 DRD2 (0.36) SLC6A4SLC6A2SLC6A3IDO1DGAT1
SCHEMBL6452592 0.87 DRD2 (0.35) SLC6A4SLC6A2SLC6A3IDO1DRD2
SCHEMBL6452587 0.87 DRD2 (0.35) SLC6A4SLC6A2SLC6A3IDO1DRD2
SCHEMBL11141599 0.87 DRD2 (0.43) SLC6A4IDO1DGAT1SOAT1DRD2
SCHEMBL11141596 0.87 DRD2 (0.43) SLC6A4IDO1DGAT1SOAT1DRD2
SCHEMBL6456705 0.86 GAA (0.35) SLC6A4SLC6A2SLC6A3IDO1DRD2

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
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 — — EP disclosed