SCHEMBL7786155

SCHEMBL7786155

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.36
ELANE P08246 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
PTPRC P08575 1/20 0.34
KCNA3 P22001 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
PDCD1LG2 Q9BQ51 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
GPR174 Q9BXC1 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL7792133 0.97 TTR (0.36) TTRELANEHTR2AHTR2CHTR2B
SCHEMBL7792664 0.96 HTR2A (0.36) TTRELANEHTR2AHTR2CHTR2B
SCHEMBL7792340 0.96 KCNA3 (0.37) TTRELANEHTR2AHTR2CHTR2B
SCHEMBL7791964 0.94 TTR (0.39) TTRHTR2AHTR2CHTR2BPTPRC
SCHEMBL7794865 0.94 HTR2A (0.35) TTRHTR2AHTR2CHTR2BPTPRC
SCHEMBL7786129 0.94 KCNA3 (0.36) ELANEHTR2AHTR2CHTR2BKCNA3
SCHEMBL7786428 0.93 CHRNB4 (0.36) ELANEHTR2AHTR2CHTR2BKCNA3
SCHEMBL7792026 0.93 HTR2A (0.37) TTRELANEHTR2AHTR2CHTR2B
SCHEMBL7791850 0.93 TTR (0.39) TTRHTR2AHTR2CHTR2BPTPRC
Hydrochloric Acid SCHEMBL7792641 0.92 CHRNB4 (0.35) ELANEHTR2AHTR2CHTR2BKCNA3

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