SCHEMBL7324554

SCHEMBL7324554

CCN(C(=O)C1CC1c1cc(Cl)c(C2CCCCC2)c(Cl)c1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
F2 P00734 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
HSD11B1 P28845 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
GAA P10253 1/20 0.33
BRD4 O60885 1/20 0.33
PYGL P06737 1/20 0.33

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
SCHEMBL7324009 0.85 SIGMAR1 (0.44) TSHRF2L3MBTL1ALDH1A1KDM4E
SCHEMBL7325916 0.82 F2 (0.44) TSHRF2L3MBTL1ALDH1A1MEN1
SCHEMBL7319301 0.78 HPGD (0.34) NPC1RAB9A
SCHEMBL7313183 0.77 FFAR1 (0.41)
SCHEMBL7323738 0.76 CYP1A2 (0.40) TSHRF2L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL7319313 0.76 FFAR1 (0.40)
SCHEMBL7313735 0.73 IDO1 (0.41) TSHRF2L3MBTL1ALDH1A1MEN1
SCHEMBL7320685 0.72 SIGMAR1 (0.42) LMNA
SCHEMBL7321171 0.68 GPR88 (0.44)
SCHEMBL7319274 0.66 CNR2 (0.42) MEN1KMT2AHSD11B1

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