SCHEMBL16801840

SCHEMBL16801840

CC(C)(C)C(C(=O)OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.52
▸ CHRM5 P08912 3/20 0.52
▸ CHRM1 P11229 3/20 0.52
▸ CHRM3 P20309 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ HTR2C P28335 2/20 0.52
▸ BLM P54132 2/20 0.52
▸ CHRM4 P08173 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ ADRA2C P18825 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ HRH1 P35367 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ SLC22A1 O15245 1/20 0.52

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
SCHEMBL16765935 0.82 KCNH2 (0.55) CHRM2CHRM5CHRM1CHRM3LMNA
SCHEMBL16789061 0.80 KMT2A (0.58) CHRM2CHRM5CHRM1CHRM3LMNA
SCHEMBL10517086 0.79 KCNH2 (0.61) KCNH2OPRK1OPRM1CHRNA7
SCHEMBL10517083 0.79 KCNH2 (0.61) KCNH2OPRK1OPRM1CHRNA7
Hydrochloric Acid SCHEMBL9384270 0.78 KCNH2 (0.60) KCNH2OPRK1OPRM1CHRNA7
Hydrochloric Acid SCHEMBL9384273 0.78 KCNH2 (0.60) KCNH2OPRK1OPRM1CHRNA7
SCHEMBL3711940 0.72 LMNA (0.76) CHRM2CHRM5CHRM1CHRM3LMNA
SCHEMBL23494941 0.71 CHRM1 (0.77) CHRM2CHRM5CHRM1CHRM3LMNA
SCHEMBL23494946 0.71 CHRM1 (0.77) CHRM2CHRM5CHRM1CHRM3LMNA
SCHEMBL23494940 0.71 CHRM1 (0.77) CHRM2CHRM5CHRM1CHRM3LMNA

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-2015082616-A1 HETEROARYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-11 — — WO disclosed
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