SCHEMBL19136281

SCHEMBL19136281

CC(C(=O)O[C@H]1CC2CC[C@H](C1)N2C)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.76
TSHR P16473 2/20 0.76
CYP1A2 P05177 1/20 0.76
LMNA P02545 3/20 0.75
CYP2C9 P11712 1/20 0.75
HSD17B10 Q99714 1/20 0.75
CHRM2 P08172 6/20 0.73
CHRM5 P08912 6/20 0.73
CHRM1 P11229 6/20 0.73
CHRM3 P20309 6/20 0.73
CHRM4 P08173 5/20 0.73
BLM P54132 2/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
HTR2C P28335 3/20 0.70
ADRA2C P18825 2/20 0.70
ADRA1A P35348 2/20 0.70
HRH1 P35367 2/20 0.70
ADRA1D P25100 2/20 0.70
MEN1 O00255 2/20 0.70

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
SCHEMBL22394825 1.00 CYP2D6 (0.76) CYP2D6TSHRCYP1A2LMNACYP2C9
SCHEMBL27203717 1.00 CYP2D6 (0.76) CYP2D6TSHRCYP1A2LMNACYP2C9
SCHEMBL22394823 1.00 CYP2D6 (0.76) CYP2D6TSHRCYP1A2LMNACYP2C9
SCHEMBL30869410 1.00 CYP2D6 (0.76) CYP2D6TSHRCYP1A2LMNACYP2C9
SCHEMBL23494999 1.00 CYP2D6 (0.76) CYP2D6TSHRCYP1A2LMNACYP2C9
SCHEMBL22394824 1.00 CYP2D6 (0.76) CYP2D6TSHRCYP1A2LMNACYP2C9
SCHEMBL23494998 1.00 CYP2D6 (0.76) CYP2D6TSHRCYP1A2LMNACYP2C9
SCHEMBL23495020 0.89 CYP2D6 (0.61) CYP2D6TSHRCYP1A2LMNACYP2C9
SCHEMBL23495018 0.89 CYP2D6 (0.61) CYP2D6TSHRCYP1A2LMNACYP2C9
SCHEMBL23495019 0.89 CYP2D6 (0.61) CYP2D6TSHRCYP1A2LMNACYP2C9

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-9707295-B2 Inhalable medicament TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D, INC. (US) 2017-07-18 US disclosed