SCHEMBL13689794

SCHEMBL13689794

Cc1cc(NC2CCN(C3(C)CCNC3)CC2)c([N+](=O)[O-])cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PKM P14618 2/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CCR5 P51681 3/20 0.33

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
SCHEMBL13689799 0.85 MAPT (0.48) MAPTCYP1A2CYP2C19CYP2C9HTT
SCHEMBL13689788 0.84 MAPT (0.43) MAPTCYP1A2CYP2C19CYP2C9HTT
SCHEMBL13689728 0.83 CCR5 (0.34) CCR5CHRM2CHRM4CHRM5CHRM1
SCHEMBL602902 0.82 CHRM2 (0.40) MAPTCYP1A2CYP2C19CYP2C9HTT
SCHEMBL602903 0.82 CHRM2 (0.40) MAPTCYP1A2CYP2C19CYP2C9HTT
SCHEMBL600514 0.80 CHRM4 (0.51) MAPTCYP1A2CYP2C19CYP2C9PKM
SCHEMBL600515 0.80 CHRM4 (0.51) MAPTCYP1A2CYP2C19CYP2C9PKM
SCHEMBL601263 0.79 CHRM4 (0.54) MAPTPKMALDH1A1MAPK1RAB9A
SCHEMBL602569 0.79 CHRM4 (0.54) MAPTPKMALDH1A1MAPK1RAB9A
SCHEMBL601262 0.79 CHRM4 (0.54) MAPTPKMALDH1A1MAPK1RAB9A

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-2009110844-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF ASTRAZENECA AB (SE) 2009-09-11 — — WO disclosed
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