SCHEMBL7731040

SCHEMBL7731040

COCC1CCC(C2CCC(c3cc(F)cc(F)c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.37
NPY5R Q15761 5/20 0.34
GRM2 Q14416 1/20 0.34
PTGIR P43119 2/20 0.32
OPRL1 P41146 3/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31

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
SCHEMBL7731047 1.00 HCRTR2 (0.37) HCRTR2NPY5RGRM2PTGIROPRL1
SCHEMBL7731038 1.00 HCRTR2 (0.37) HCRTR2NPY5RGRM2PTGIROPRL1
SCHEMBL7732668 0.83 ALOX5 (0.33) HCRTR2
SCHEMBL7732660 0.83 ALOX5 (0.33) HCRTR2
SCHEMBL7732656 0.83 ALOX5 (0.33) HCRTR2
SCHEMBL8455912 0.81 OPRL1 (0.33) OPRL1
SCHEMBL8455913 0.81 OPRL1 (0.33) OPRL1
SCHEMBL8455909 0.81 OPRL1 (0.33) OPRL1
SCHEMBL7733904 0.80 OPRL1 (0.30) OPRL1
SCHEMBL7733908 0.80 OPRL1 (0.30) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372153-B1 HIGHER DIELECTRIC ANISOTROPY, EXCELLENT IN MISCIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUNDS, LOW VISCOSITY, STABLE CHEMICALLY AND PHYSICALLY CHISSO CORPORATION (JP) 2002-04-16 US disclosed
EP-1020423-A1 FLUOROALKOXYBENZENE DERIVATIVES HAVING ETHER BOND, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2000-07-19 EP disclosed