SCHEMBL7796237

SCHEMBL7796237

CCCOc1cc(OC(C)C2CCCN2)c(N)c2c1-c1c(OC(C)C3CCCN3)cccc1C2=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
IKBKB O14920 2/20 0.32
KCNA3 P22001 1/20 0.32
P2RY2 P41231 1/20 0.31
TTR P02766 1/20 0.31
PDE5A O76074 1/20 0.30
IRAK4 Q9NWZ3 2/20 0.30
GHSR Q92847 1/20 0.30

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
SCHEMBL7795964 0.98 HTR2A (0.36) HTR2AHTR2CHTR2BIKBKBKCNA3
SCHEMBL7796225 0.97 HTR2A (0.35) HTR2AHTR2CHTR2BKCNA3IRAK4
SCHEMBL7792221 0.96 TTR (0.35) HTR2AHTR2CHTR2BIKBKBKCNA3
SCHEMBL7796413 0.96 TTR (0.35) HTR2AHTR2CHTR2BIKBKBKCNA3
SCHEMBL7795920 0.94 CHRNB4 (0.34) HTR2AHTR2CHTR2BIKBKBP2RY2
Hydrochloric Acid SCHEMBL7792171 0.93 CHRNB4 (0.34) HTR2AHTR2CHTR2BIKBKBP2RY2
SCHEMBL7795886 0.93 TTR (0.37) HTR2AHTR2CHTR2BP2RY2TTR
SCHEMBL7792460 0.91 TTR (0.37) HTR2AHTR2CHTR2BP2RY2TTR
SCHEMBL27493226 0.90 FLT3 (0.33) HTR2AHTR2CHTR2BIKBKBKCNA3
SCHEMBL7796125 0.90 TTR (0.37) HTR2AHTR2CHTR2BP2RY2TTR

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