SCHEMBL7795920

SCHEMBL7795920

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PDCD1LG2 Q9BQ51 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
P2RY2 P41231 2/20 0.31
P2RY4 P51582 2/20 0.31
IKBKB O14920 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
PDE4A P27815 2/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31

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
Hydrochloric Acid SCHEMBL7792171 0.99 CHRNB4 (0.34) CHRNB4CHRNA3HTR2AHTR2CHTR2B
SCHEMBL7795964 0.96 HTR2A (0.36) HTR2AHTR2CHTR2BP2RY2IKBKB
SCHEMBL7796237 0.94 HTR2A (0.36) HTR2AHTR2CHTR2BP2RY2IKBKB
SCHEMBL7792221 0.93 TTR (0.35) HTR2AHTR2CHTR2BPDCD1LG2CD274
SCHEMBL7796413 0.93 TTR (0.35) HTR2AHTR2CHTR2BPDCD1LG2CD274
SCHEMBL7795905 0.93 TTR (0.36) CHRNB4CHRNA3HTR2AHTR2CHTR2B
SCHEMBL7796225 0.91 HTR2A (0.35) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL7795780 0.91 PDCD1LG2 (0.35) SLC6A2SLC6A4SLC6A3PDCD1LG2CD274
SCHEMBL7792699 0.91 PDCD1LG2 (0.35) SLC6A2SLC6A4SLC6A3PDCD1LG2CD274
SCHEMBL7796488 0.90 TTR (0.36) CHRNB4CHRNA3HTR2AHTR2CHTR2B

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