SCHEMBL9214802

SCHEMBL9214802

CCCCCCCC1=CCC[CH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.37
CHRM2 P08172 3/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
CHRM4 P08173 2/20 0.37
CYP19A1 P11511 1/20 0.37
PTGS2 P35354 3/20 0.36
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SHBG P04278 1/20 0.36

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
SCHEMBL9208004 0.98 CYP19A1 (0.38) LIPGCHRM2CHRM5CHRM1CHRM3
SCHEMBL9205209 0.88 CHRM1 (0.35) LIPGCHRM2CHRM5CHRM1CHRM3
SCHEMBL23920955 0.79 ACHE (0.35) LIPGCHRM2CHRM5CHRM1CHRM3
SCHEMBL22268975 0.79 ACHE (0.35) LIPGCHRM2CHRM5CHRM1CHRM3
SCHEMBL11421607 0.68 ACHE (0.36) LIPGCHRM2CHRM5CHRM1CHRM3
SCHEMBL6751772 0.67 TSHR (0.42) LIPGCHRM2CHRM5CHRM1CHRM3
SCHEMBL6752031 0.67 TSHR (0.42) LIPGCHRM2CHRM5CHRM1CHRM3
SCHEMBL1754051 0.67 TSHR (0.42) LIPGCHRM2CHRM5CHRM1CHRM3
SCHEMBL6748375 0.67 TSHR (0.42) LIPGCHRM2CHRM5CHRM1CHRM3
SCHEMBL1753858 0.67 TSHR (0.42) LIPGCHRM2CHRM5CHRM1CHRM3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed