SCHEMBL9754194

SCHEMBL9754194

CCCCOC1CCC(c2ccc(F)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.43
SGPL1 O95470 3/20 0.36
S1PR1 P21453 2/20 0.36
RAB9A P51151 1/20 0.35
SPHK1 Q9NYA1 2/20 0.35
KDM1A O60341 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
LIPC P11150 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL9754192 1.00 HCRTR2 (0.43) HCRTR2SGPL1S1PR1RAB9ASPHK1
SCHEMBL15581072 0.86 HCRTR2 (0.43) HCRTR2SGPL1S1PR1KDM1AHTR2A
SCHEMBL15061084 0.84 HCRTR2 (0.33) HCRTR2SGPL1S1PR1RAB9ASPHK1
SCHEMBL13402101 0.83 RAB9A (0.40) RAB9A
SCHEMBL9625016 0.83 HCRTR2 (0.35) HCRTR2SGPL1S1PR1RAB9ALIPC
SCHEMBL9625010 0.83 HCRTR2 (0.35) HCRTR2SGPL1S1PR1RAB9ALIPC
SCHEMBL15061053 0.83 GPR119 (0.35) HCRTR2SGPL1S1PR1RAB9ASPHK1
SCHEMBL15061047 0.82 KDM1A (0.47) HCRTR2SGPL1S1PR1RAB9ASPHK1
SCHEMBL15061082 0.82 KDM1A (0.47) HCRTR2SGPL1S1PR1RAB9ASPHK1
SCHEMBL27897507 0.82 HCRTR2 (0.47) HCRTR2KDM1A

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
WO-1991015450-A1 PHENYL CYCLOHEXANES AND LIQUID CRYSTAL MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-10-17 WO disclosed