SCHEMBL7792222

SCHEMBL7792222

COc1cccc2c1-c1c(OCCC3CCCN3)cccc1C2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.51
CHRNA3 P32297 4/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHEK1 O14757 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
KCNA3 P22001 1/20 0.40
PIM1 P11309 2/20 0.39
APAF1 O14727 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
EGFR P00533 1/20 0.39
AKT1 P31749 1/20 0.39
ELANE P08246 1/20 0.39
PIM2 Q9P1W9 1/20 0.38
TCF4 P15884 1/20 0.38

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
SCHEMBL7794951 0.96 CHRNB4 (0.47) CHRNB4CHRNA3MEN1KMT2ACHEK1
SCHEMBL7786162 0.94 CHRNB4 (0.48) CHRNB4CHRNA3MEN1KMT2ACHEK1
SCHEMBL7792203 0.92 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4KCNA3
SCHEMBL7794880 0.91 CHRNB4 (0.44) CHRNB4CHRNA3MEN1KMT2ACHEK1
SCHEMBL7795907 0.91 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4KCNA3
SCHEMBL7794691 0.90 CHRNB4 (0.45) CHRNB4CHRNA3MEN1KMT2ACHEK1
SCHEMBL7795755 0.90 CHRNB4 (0.45) CHRNB4CHRNA3MEN1KMT2ACHEK1
SCHEMBL7792117 0.90 CHRNB4 (0.44) CHRNB4CHRNA3MEN1KMT2ACHEK1
SCHEMBL7795723 0.89 ELANE (0.44) CHRNB4CHRNA3CHRNB2CHRNA4KCNA3
SCHEMBL7792650 0.88 PIM1 (0.42) CHRNB4CHRNA3KMT2ACHRNB2CHRNA4

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 2 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