SCHEMBL7794880

SCHEMBL7794880

COc1ccc(OCCC2CCCCN2)c2c1-c1c(OCCC3CCCCN3)cccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.44
CHRNA3 P32297 3/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
DUSP3 P51452 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 1/20 0.40
EGFR P00533 1/20 0.39
SSTR2 P30874 4/20 0.38
CHEK1 O14757 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
FGB P02675 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL7786162 0.97 CHRNB4 (0.48) CHRNB4CHRNA3KMT2AMEN1ALDH1A1
SCHEMBL7794951 0.94 CHRNB4 (0.47) CHRNB4CHRNA3KMT2AMEN1ALDH1A1
SCHEMBL7792707 0.92 PIM1 (0.40) CHRNB4CHRNA3KMT2APIM1PIM2
SCHEMBL7786360 0.91 PIM1 (0.40) CHRNB4CHRNA3KMT2AALDH1A1KDM4E
SCHEMBL7792222 0.91 CHRNB4 (0.51) CHRNB4CHRNA3KMT2AMEN1ALDH1A1
SCHEMBL7786279 0.90 PIM1 (0.39) CHRNB4CHRNA3KMT2APIM1PIM2
SCHEMBL7792624 0.89 CHRNB4 (0.41) CHRNB4CHRNA3PIM1PIM2SSTR2
SCHEMBL7796351 0.88 CHRNB4 (0.40) CHRNB4CHRNA3PIM1PIM2SSTR2
SCHEMBL7786143 0.88 CHRNB4 (0.40) CHRNB4CHRNA3KMT2AMEN1ALDH1A1
SCHEMBL7795759 0.88 KCNA3 (0.43) CHRNB4CHRNA3KMT2APIM1PIM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed