SCHEMBL5686983

SCHEMBL5686983

C=CCC[C@@H]1CC[C@H]2[C@H](CC[C@H]3CC(c4ccc(C(F)(F)F)cc4)CC[C@@H]32)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.37
TEAD1 P28347 3/20 0.33
CNR1 P21554 2/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
IDO1 P14902 1/20 0.33
LSS P48449 2/20 0.32
ESR2 Q92731 1/20 0.31
TRPV1 Q8NER1 4/20 0.30

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
SCHEMBL5686985 1.00 HTR2C (0.37) HTR2CTEAD1CNR1DGAT1SOAT1
SCHEMBL5686524 0.86 SLC6A2 (0.31) ESR2
SCHEMBL5686521 0.86 SLC6A2 (0.31) ESR2
SCHEMBL5683809 0.86 HTR2C (0.35) HTR2CTEAD1CNR1DGAT1SOAT1
SCHEMBL5683810 0.86 HTR2C (0.35) HTR2CTEAD1CNR1DGAT1SOAT1
SCHEMBL5683503 0.85 EPHX2 (0.34) TEAD1
SCHEMBL5683511 0.85 EPHX2 (0.34) TEAD1
SCHEMBL5683347 0.84 ALDH1A1 (0.43) HTR2CTEAD1CNR1IDO1
SCHEMBL5683343 0.84 ALDH1A1 (0.43) HTR2CTEAD1CNR1IDO1
SCHEMBL5684503 0.84 SLC6A3 (0.32) IDO1ESR2

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-7067179-B1 Fused ring compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-06-27 US disclosed
EP-1201632-B1 FUSED RING COMPOUND DAINIPPON INK & CHEMICALS (JP) 2006-03-29 EP disclosed
EP-1201632-A1 FUSED RING COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-02 EP disclosed