SCHEMBL7794753

SCHEMBL7794753

CCCCOc1ccc(OCCCC2CCNC2)c2c1-c1c(OCCCC3CCNC3)cccc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
KCNA3 P22001 1/20 0.39
ELANE P08246 1/20 0.39
NPY1R P25929 7/20 0.38
ACP1 P24666 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
AVPR2 P30518 1/20 0.36
AVPR1A P37288 1/20 0.36
IKBKB O14920 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ITGAV P06756 1/20 0.35
CHRM2 P08172 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL7786436 0.96 HTR2A (0.45) HTR2AHTR2CHTR2BKCNA3ELANE
SCHEMBL7791763 0.94 ELANE (0.44) HTR2AHTR2CHTR2BKCNA3ELANE
SCHEMBL7792560 0.94 NPY1R (0.43) HTR2AHTR2CHTR2BKCNA3ELANE
SCHEMBL7792607 0.94 HTR2A (0.42) HTR2AHTR2CHTR2BKCNA3NPY1R
SCHEMBL7792232 0.91 MEN1 (0.42) HTR2AHTR2CHTR2BKCNA3NPY1R
SCHEMBL7792363 0.90 HTR2A (0.47) HTR2AHTR2CHTR2BKCNA3ELANE
SCHEMBL7792350 0.89 HTR2A (0.44) HTR2AHTR2CHTR2BKCNA3NPY1R
SCHEMBL7792686 0.89 IKBKB (0.38) HTR2AHTR2CHTR2BKCNA3ELANE
SCHEMBL7796210 0.88 HTR2A (0.44) HTR2AHTR2CHTR2BKCNA3ELANE
SCHEMBL7792794 0.87 NPY1R (0.41) HTR2AHTR2CHTR2BKCNA3NPY1R

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 4 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
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed