SCHEMBL9249104

SCHEMBL9249104

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.38
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
FFAR1 O14842 2/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
PSMD14 O00487 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP2 P08253 1/20 0.31
MC4R P32245 1/20 0.31
RAD52 P43351 1/20 0.31
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 2/20 0.31

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
SCHEMBL9247434 1.00 GRM2 (0.38) GRM2MAPTGAAFFAR1TSHR
SCHEMBL9249112 1.00 GRM2 (0.38) GRM2MAPTGAAFFAR1TSHR
SCHEMBL9247430 1.00 GRM2 (0.38) GRM2MAPTGAAFFAR1TSHR
SCHEMBL9241181 0.99 GRM2 (0.36) GRM2MAPTGAAFFAR1TSHR
SCHEMBL9241173 0.99 GRM2 (0.36) GRM2MAPTGAAFFAR1TSHR
SCHEMBL9498218 0.96 GRM2 (0.40) GRM2MAPTGAAFFAR1MEN1
SCHEMBL9494914 0.96 GRM2 (0.40) GRM2MAPTGAAFFAR1MEN1
SCHEMBL9494906 0.96 GRM2 (0.40) GRM2MAPTGAAFFAR1MEN1
SCHEMBL9498348 0.96 GRM2 (0.40) GRM2MAPTGAAFFAR1MEN1
SCHEMBL9495350 0.96 GRM2 (0.40) GRM2MAPTGAAFFAR1MEN1

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