SCHEMBL7786158

SCHEMBL7786158

CCCOc1cc(OCC)c2c(c1)C(=O)c1cccc(OCCC3CCCN3)c1-2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.38
KCNA3 P22001 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
ELANE P08246 2/20 0.36
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL7791842 0.98 TTR (0.39) TTRKCNA3DDB1CRBNCHRNB4
SCHEMBL7792135 0.97 TTR (0.37) TTRKCNA3DDB1CRBNELANE
SCHEMBL7792670 0.97 TTR (0.36) TTRKCNA3ELANECHRNB4CHRNA3
SCHEMBL7792331 0.97 KCNA3 (0.40) KCNA3ELANECHRNB4CHRNA3HTR2A
SCHEMBL7792023 0.97 KCNA3 (0.40) KCNA3ELANECHRNB4CHRNA3HTR2A
SCHEMBL7791970 0.96 TTR (0.39) TTRKCNA3DDB1CRBNCHRNB4
SCHEMBL7795922 0.95 TTR (0.39) TTRKCNA3DDB1CRBN
SCHEMBL7794866 0.94 SSTR2 (0.37) TTRKCNA3HTR2AHTR2CHTR2B
SCHEMBL7795843 0.94 KCNA3 (0.39) KCNA3ELANEHTR2AHTR2CHTR2B
SCHEMBL7786122 0.94 KCNA3 (0.39) KCNA3ELANEHTR2AHTR2CHTR2B

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