SCHEMBL17880886

SCHEMBL17880886

CC(C)N1[C@@H]2CC[C@@H]1CC(OC(=O)[C@@](C)(CO)c1ccccc1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 12/20 0.46
CHRM2 P08172 11/20 0.46
CHRM3 P20309 11/20 0.46
CHRM5 P08912 9/20 0.46
CHRM4 P08173 8/20 0.46
HTR2C P28335 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
ADRA2C P18825 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
NFKB1 P19838 1/20 0.45
SLC22A1 O15245 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44

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
Atromepine SCHEMBL23494948 0.89 HTR3A (0.56) CHRM1CHRM2CHRM3CHRM5CHRM4
Atromepine SCHEMBL247878 0.89 HTR3A (0.56) CHRM1CHRM2CHRM3CHRM5CHRM4
Atromepine SCHEMBL30869390 0.89 HTR3A (0.56) CHRM1CHRM2CHRM3CHRM5CHRM4
Atromepine SCHEMBL23494947 0.89 HTR3A (0.56) CHRM1CHRM2CHRM3CHRM5CHRM4
Atromepine SCHEMBL247877 0.89 HTR3A (0.56) CHRM1CHRM2CHRM3CHRM5CHRM4
Atromepine SCHEMBL22284034 0.88 HTR3A (0.55) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL23494986 0.86 CHRM1 (0.47) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL23494987 0.86 CHRM1 (0.47) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL23494989 0.86 CHRM1 (0.47) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL12463959 0.83 CHRM3 (0.61) CHRM1CHRM2CHRM3CHRM5CHRM4

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
WO-2016102984-A1 A NASAL COMPOSITION CONTAINING SEA WATER AS STABILITY-IMPROVING EXCIPIENT JADRAN - GALENSKI LABORATORIJ D.D. (HR) 2016-06-30 WO disclosed