SCHEMBL9243152

SCHEMBL9243152

OCCCC1CCC(C#Cc2ccc(-c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.39
PAX8 Q06710 3/20 0.35
FFAR4 Q5NUL3 2/20 0.35
GRIN2B Q13224 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ACACB O00763 1/20 0.31
P2RY6 Q15077 1/20 0.31
HAO1 Q9UJM8 1/20 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
SCHEMBL9243149 1.00 FFAR1 (0.39) FFAR1PAX8FFAR4GRIN2BDRD2
SCHEMBL9246498 0.86 FFAR1 (0.36) FFAR1PAX8FFAR4DRD2HTR2A
SCHEMBL9246491 0.86 FFAR1 (0.36) FFAR1PAX8FFAR4DRD2HTR2A
SCHEMBL9241173 0.85 GRM2 (0.36) FFAR1PAX8FFAR4DRD2HTR2A
SCHEMBL9241181 0.85 GRM2 (0.36) FFAR1PAX8FFAR4DRD2HTR2A
SCHEMBL9249112 0.84 GRM2 (0.38) FFAR1PAX8FFAR4DRD2HTR2A
SCHEMBL9247430 0.84 GRM2 (0.38) FFAR1PAX8FFAR4DRD2HTR2A
SCHEMBL9247434 0.84 GRM2 (0.38) FFAR1PAX8FFAR4DRD2HTR2A
SCHEMBL9249104 0.84 GRM2 (0.38) FFAR1PAX8FFAR4DRD2HTR2A
SCHEMBL9246011 0.83 FFAR1 (0.38) FFAR1PAX8FFAR4GRIN2BDRD2

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
US-5447657-A Liquid crystal compounds HOFFMANN-LA ROCHE INC. (US) 1995-09-05 US disclosed