SCHEMBL8412601

SCHEMBL8412601

CCCCCC1CCC(C2CCC(C(C)c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
SLC6A3 Q01959 4/20 0.36
SLC6A2 P23975 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A4 P31645 1/20 0.36
TP53 P04637 2/20 0.35
MEN1 O00255 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
THPO P40225 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 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
SCHEMBL10750543 0.92 GRM2 (0.39) GRM2SLC6A3SLC6A2DRD2DRD4
SCHEMBL10479592 0.91 GRM2 (0.41) GRM2SLC6A3SLC6A2DRD2DRD4
SCHEMBL10479922 0.91 GRM2 (0.41) GRM2SLC6A3SLC6A2DRD2DRD4
SCHEMBL8433409 0.90 SLC6A3 (0.35) SLC6A3
SCHEMBL10480046 0.88 SLC6A3 (0.36) GRM2SLC6A3SLC6A2DRD2DRD4
SCHEMBL8920314 0.86 SLC6A2 (0.32) SLC6A3SLC6A2SLC6A4TP53
SCHEMBL9346831 0.86 SLC6A2 (0.32) SLC6A3SLC6A2SLC6A4TP53
SCHEMBL9081652 0.84 CYP2C9 (0.39) SLC6A3SLC6A2DRD2DRD4DRD3
SCHEMBL8433891 0.84 PDE2A (0.39) SLC6A3SLC6A4
SCHEMBL7531700 0.82 GRM2 (0.39) GRM2SLC6A3SLC6A2DRD3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6004479-A FLUOROETHERS FOR LIQUID CRYSTAL DISPLAYS AND DIELECTRICS MERCK KGAA (DE) 1999-12-21 US disclosed
US-5876626-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-02 US disclosed
EP-0394417-B1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1994-10-26 EP disclosed
EP-0394417-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1990-10-31 EP disclosed