SCHEMBL7313183

SCHEMBL7313183

O=C(O)C1CC1c1cc(Cl)c(C2CCCCC2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.41
MAPK1 P28482 1/20 0.39
KMO O15229 3/20 0.39
CYP2C19 P33261 2/20 0.38
GRM4 Q14833 1/20 0.37
HPGD P15428 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
IDO1 P14902 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35

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
Hydrochloric Acid SCHEMBL7319313 0.98 FFAR1 (0.40) FFAR1MAPK1KMOCYP2C19GRM4
SCHEMBL7319301 0.89 HPGD (0.34) FFAR1MAPK1KMOHPGDSIGMAR1
SCHEMBL7312887 0.81 FFAR1 (0.44) FFAR1KMOHPGDIDO1ACMSD
Hydrochloric Acid SCHEMBL7315858 0.80 FFAR1 (0.43) FFAR1KMOHPGDIDO1ACMSD
SCHEMBL7324554 0.77 TSHR (0.40)
SCHEMBL7314337 0.76 FFAR1 (0.54) FFAR1KMOHPGDSIGMAR1ACMSD
Hydrochloric Acid SCHEMBL7317863 0.74 FFAR1 (0.53) FFAR1KMOHPGDSIGMAR1ACMSD
SCHEMBL8150013 0.73 FFAR1 (0.49) FFAR1KMOGRM4
SCHEMBL6994971 0.73 FFAR1 (0.49) FFAR1KMOGRM4
SCHEMBL6994974 0.73 FFAR1 (0.49) FFAR1KMOGRM4

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-6235791-B1 USING CIS N-CYCLOHEXYL-N-ETHYL(3-(3-CHLORO-CYCLOHEXYLPHENYL)ALLYL)AMINE SANOFI-SYNTHELABO (FR) 2001-05-22 US disclosed