SCHEMBL7318786

SCHEMBL7318786

CCN(C/C=C/c1ccc(C2CCCCC2)c(Cl)c1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.64
TMEM97 Q5BJF2 1/20 0.64
EBP Q15125 1/20 0.64
KDM4E B2RXH2 1/20 0.32
CNR2 P34972 1/20 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
SCHEMBL7318797 1.00 SIGMAR1 (0.64) SIGMAR1TMEM97EBPKDM4ECNR2
SCHEMBL7318794 1.00 SIGMAR1 (0.64) SIGMAR1TMEM97EBPKDM4ECNR2
SCHEMBL7318790 1.00 SIGMAR1 (0.64) SIGMAR1TMEM97EBPKDM4ECNR2
SCHEMBL11634254 0.81 SIGMAR1 (0.76) SIGMAR1TMEM97EBPKDM4E
SCHEMBL29412726 0.81 SIGMAR1 (0.76) SIGMAR1TMEM97EBPKDM4E
SCHEMBL8328268 0.81 SIGMAR1 (0.76) SIGMAR1TMEM97EBPKDM4E
Hydrochloric Acid SCHEMBL30570019 0.80 SIGMAR1 (0.74) SIGMAR1TMEM97EBPKDM4E
SCHEMBL11631505 0.78 SIGMAR1 (0.72) SIGMAR1TMEM97EBPKDM4E
SCHEMBL11633441 0.78 SIGMAR1 (0.72) SIGMAR1TMEM97EBPKDM4E
SCHEMBL29412724 0.78 SIGMAR1 (1.00) SIGMAR1TMEM97EBPKDM4E

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