SCHEMBL13768952

SCHEMBL13768952

C[C@]12CCC[C@H](OC(=O)c3ccccc3)[C@@H]1CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.48
▸ CHRM4 P08173 2/20 0.48
▸ CHRM1 P11229 2/20 0.48
▸ CHRM3 P20309 2/20 0.48
▸ GAA P10253 1/20 0.47
▸ PRKCA P17252 1/20 0.47
▸ SLC18A3 Q16572 1/20 0.46
▸ BCHE P06276 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HTR3E A5X5Y0 2/20 0.43
▸ HTR3B O95264 2/20 0.43
▸ HTR3A P46098 2/20 0.43
▸ HTR3D Q70Z44 2/20 0.43
▸ HTR3C Q8WXA8 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CHRNA7 P36544 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ APOBEC3A P31941 1/20 0.42

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
SCHEMBL27057357 0.81 GAA (0.50) CHRM2CHRM4CHRM1CHRM3GAA
SCHEMBL8503805 0.79 ABCB1 (0.49) CHRM2CHRM4CHRM1CHRM3GAA
SCHEMBL25755470 0.78 SLC18A3 (0.61) CHRM2CHRM4CHRM1CHRM3SLC18A3
SCHEMBL10907426 0.78 SLC18A3 (0.61) CHRM2CHRM4CHRM1CHRM3SLC18A3
SCHEMBL1785360 0.78 SLC18A3 (0.61) CHRM2CHRM4CHRM1CHRM3SLC18A3
SCHEMBL26710051 0.78 SLC18A3 (0.61) CHRM2CHRM4CHRM1CHRM3SLC18A3
SCHEMBL27134271 0.76 GAA (0.51) CHRM2CHRM4CHRM1CHRM3GAA
SCHEMBL27134258 0.76 GAA (0.51) CHRM2CHRM4CHRM1CHRM3GAA
SCHEMBL8503809 0.76 PRKCA (0.42) CHRM2CHRM4CHRM1CHRM3GAA
SCHEMBL27052345 0.75 GAA (0.48) CHRM2CHRM4CHRM1CHRM3GAA

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-2009086439-A2 2-METHYLENE-(20S,25S)-19,26-DINOR-VITAMIN D ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-07-09 — — WO disclosed
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