SCHEMBL9247882

SCHEMBL9247882

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.38
FFAR4 Q5NUL3 2/20 0.34
PAX8 Q06710 3/20 0.33
P2RY6 Q15077 1/20 0.32
HAO1 Q9UJM8 1/20 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
ACACB O00763 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
SCHEMBL9247893 1.00 FFAR1 (0.38) FFAR1FFAR4PAX8P2RY6HAO1
SCHEMBL9247671 0.87 FFAR1 (0.35) FFAR1FFAR4PAX8P2RY6DRD2
SCHEMBL9243765 0.87 FFAR1 (0.35) FFAR1FFAR4PAX8P2RY6DRD2
SCHEMBL9246011 0.82 FFAR1 (0.38) FFAR1FFAR4PAX8P2RY6DRD2
SCHEMBL9246005 0.82 FFAR1 (0.38) FFAR1FFAR4PAX8P2RY6DRD2
SCHEMBL9245849 0.82 FFAR1 (0.34) FFAR1FFAR4PAX8DRD2HTR2A
SCHEMBL9245837 0.82 FFAR1 (0.34) FFAR1FFAR4PAX8DRD2HTR2A
SCHEMBL9243152 0.80 FFAR1 (0.39) FFAR1FFAR4PAX8P2RY6HAO1
SCHEMBL9243149 0.80 FFAR1 (0.39) FFAR1FFAR4PAX8P2RY6HAO1
SCHEMBL9246498 0.80 FFAR1 (0.36) FFAR1FFAR4PAX8DRD2HTR2A

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