SCHEMBL11633441

SCHEMBL11633441

CN(C)C/C=C/c1ccc(C2CCCCC2)c(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.72
TMEM97 Q5BJF2 1/20 0.72
EBP Q15125 1/20 0.72
KDM4E B2RXH2 1/20 0.42
PSMB5 P28074 1/20 0.33
CEL P19835 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL11631505 1.00 SIGMAR1 (0.72) SIGMAR1TMEM97EBPKDM4EPSMB5
SCHEMBL26765558 0.88 SIGMAR1 (0.74) SIGMAR1TMEM97EBPKDM4EMEN1
Hydrochloric Acid SCHEMBL9152641 0.87 SIGMAR1 (0.73) SIGMAR1TMEM97EBPKDM4EMEN1
Hydrochloric Acid SCHEMBL9152029 0.87 SIGMAR1 (0.73) SIGMAR1TMEM97EBPKDM4EMEN1
Hydrochloric Acid SCHEMBL9152048 0.87 SIGMAR1 (0.73) SIGMAR1TMEM97EBPKDM4EMEN1
SCHEMBL29412726 0.87 SIGMAR1 (0.76) SIGMAR1TMEM97EBPKDM4ECEL
SCHEMBL11634254 0.87 SIGMAR1 (0.76) SIGMAR1TMEM97EBPKDM4ECEL
SCHEMBL8328268 0.87 SIGMAR1 (0.76) SIGMAR1TMEM97EBPKDM4ECEL
Hydrochloric Acid SCHEMBL30570019 0.86 SIGMAR1 (0.74) SIGMAR1TMEM97EBPKDM4ECEL
SCHEMBL26765850 0.85 SIGMAR1 (0.78) SIGMAR1TMEM97EBPKDM4ECEL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4104383-A PSYCHOSTIMULANT, ANTISPASMODIC, HYPOTENSIVE, ANALGESIC C M INDUSTRIES (FR) 1978-08-01 US claimed
US-4104383-A PSYCHOSTIMULANT, ANTISPASMODIC, HYPOTENSIVE, ANALGESIC C M INDUSTRIES (FR) 1978-08-01 US disclosed