SCHEMBL9247671

SCHEMBL9247671

C=CCC[C@H]1CC[C@H](C#Cc2ccc(-c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.35
FFAR4 Q5NUL3 2/20 0.32
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PAX8 Q06710 3/20 0.31
P2RY6 Q15077 1/20 0.30
GRIN2B Q13224 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
SCHEMBL9243765 1.00 FFAR1 (0.35) FFAR1FFAR4DRD2HTR2AHTR2C
SCHEMBL9245849 0.92 FFAR1 (0.34) FFAR1FFAR4DRD2HTR2AHTR2C
SCHEMBL9245837 0.92 FFAR1 (0.34) FFAR1FFAR4DRD2HTR2AHTR2C
SCHEMBL9243151 0.88 FFAR1 (0.33) FFAR1P2RY6
SCHEMBL9243157 0.88 FFAR1 (0.33) FFAR1P2RY6
SCHEMBL9247882 0.87 FFAR1 (0.38) FFAR1FFAR4DRD2HTR2AHTR2C
SCHEMBL9246670 0.87 FFAR1 (0.35) FFAR1FFAR4
SCHEMBL9246673 0.87 FFAR1 (0.35) FFAR1FFAR4
SCHEMBL9247893 0.87 FFAR1 (0.38) FFAR1FFAR4DRD2HTR2AHTR2C
SCHEMBL9243853 0.86 GRM5 (0.40)

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 claimed