SCHEMBL7796413

SCHEMBL7796413

CCCOc1cc(OCC)c2c(c1N)C(=O)c1cccc(OC(C)C3CCCN3)c1-2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.35
P2RY2 P41231 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
PTPRC P08575 1/20 0.32
IKBKB O14920 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
KCNA3 P22001 1/20 0.30
PDCD1LG2 Q9BQ51 2/20 0.30
CD274 Q9NZQ7 2/20 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
SCHEMBL7792221 1.00 TTR (0.35) TTRP2RY2HTR2AHTR2CHTR2B
SCHEMBL7795964 0.97 HTR2A (0.36) TTRP2RY2HTR2AHTR2CHTR2B
SCHEMBL7796237 0.96 HTR2A (0.36) TTRP2RY2HTR2AHTR2CHTR2B
SCHEMBL7792460 0.96 TTR (0.37) TTRP2RY2HTR2AHTR2CHTR2B
SCHEMBL7795886 0.94 TTR (0.37) TTRP2RY2HTR2AHTR2CHTR2B
SCHEMBL7795920 0.93 CHRNB4 (0.34) P2RY2HTR2AHTR2CHTR2BIKBKB
SCHEMBL7796225 0.93 HTR2A (0.35) HTR2AHTR2CHTR2BKCNA3
Hydrochloric Acid SCHEMBL7792171 0.92 CHRNB4 (0.34) P2RY2HTR2AHTR2CHTR2BIKBKB
SCHEMBL7796488 0.91 TTR (0.36) TTRP2RY2HTR2AHTR2CHTR2B
SCHEMBL7795905 0.91 TTR (0.36) TTRP2RY2HTR2AHTR2CHTR2B

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