SCHEMBL23223975

SCHEMBL23223975

CNc1c(OCc2ccccc2)ccc(CCNCc2ccc([N+](=O)[O-])cc2)c1/C=C\C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ HTR2A P28223 1/20 0.43
▸ CYP19A1 P11511 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ BCHE P06276 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CA12 O43570 2/20 0.39

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
SCHEMBL19784363 0.79 CDK4 (0.48) KMT2AMEN1MAPTSMN1; SMN2HTR1A
SCHEMBL2892762 0.69 MEN1 (0.89) KMT2AMEN1MAPTALDH1A1TAAR1
SCHEMBL7840693 0.68 KDM4E (0.57) KMT2AMEN1ALDH1A1TAAR1SMN1; SMN2
Bromide SCHEMBL11670771 0.67 KDM4E (0.56) KMT2AMEN1ALDH1A1TAAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL11669913 0.67 KDM4E (0.56) KMT2AMEN1ALDH1A1TAAR1SMN1; SMN2
SCHEMBL24404482 0.67 HDAC1 (0.38) ALDH1A1KDM4EBCHECCNB2CDK1
SCHEMBL23223711 0.67 HTR2A (0.38) HTR2ACA12CA1CA2CA4
SCHEMBL4859909 0.65 MEN1 (0.64) KMT2AMEN1MAPTALDH1A1TAAR1
SCHEMBL15509301 0.65 MAPT (1.00) KMT2AMEN1MAPTALDH1A1CYP19A1
SCHEMBL1041853 0.65 MEN1 (0.69) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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
EP-3383867-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2021-04-14 — — EP disclosed
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