SCHEMBL9225306

SCHEMBL9225306

CCCCCc1cccc(-c2ccccc2-c2cccc(F)c2F)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.44
LPL P06858 3/20 0.42
LIPG Q9Y5X9 3/20 0.42
GPR3 P46089 1/20 0.42
SCN8A Q9UQD0 1/20 0.39
PSMB5 P28074 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GCGR P47871 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
SPHK2 Q9NRA0 1/20 0.37

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
SCHEMBL9224680 0.99 GPR3 (0.44) HTR7LPLLIPGGPR3SPHK2
SCHEMBL9223411 0.99 GPR3 (0.44) HTR7LPLLIPGGPR3SPHK2
SCHEMBL9221671 0.99 GPR3 (0.44) HTR7LPLLIPGGPR3SPHK2
SCHEMBL9221772 0.96 HTR7 (0.46) HTR7LPLLIPGGPR3SCN8A
SCHEMBL9764076 0.92 GPR3 (0.43) HTR7LPLLIPGGPR3PSMB5
SCHEMBL9763735 0.91 GPR3 (0.45) HTR7LPLLIPGGPR3SPHK2
SCHEMBL9763652 0.91 GPR3 (0.45) HTR7LPLLIPGGPR3SPHK2
SCHEMBL9764031 0.91 GPR3 (0.45) HTR7LPLLIPGGPR3SPHK2
SCHEMBL9763636 0.91 GPR3 (0.45) HTR7LPLLIPGGPR3SPHK2
SCHEMBL9764332 0.91 GPR3 (0.45) HTR7LPLLIPGGPR3SPHK2

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-0413785-B1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK PATENT GMBH (DE) 1995-12-20 EP disclosed