SCHEMBL7792560

SCHEMBL7792560

CCCCOc1ccc(OCCCC2CCCNC2)c2c1-c1c(OCCCC3CCCNC3)cccc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 11/20 0.43
ACP1 P24666 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
KCNA3 P22001 1/20 0.38
ELANE P08246 1/20 0.38
IKBKB O14920 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL7792350 0.96 HTR2A (0.44) NPY1RACP1TLR7HTR2AHTR2C
SCHEMBL7792794 0.94 NPY1R (0.41) NPY1RACP1HTR2AHTR2CHTR2B
SCHEMBL7794753 0.94 HTR2A (0.41) NPY1RACP1TLR7HTR2AHTR2C
SCHEMBL7794665 0.92 ACP1 (0.43) NPY1RACP1
SCHEMBL7792683 0.90 HTR2A (0.46) NPY1RACP1TLR7HTR2AHTR2C
SCHEMBL7794774 0.90 TLR7 (0.42) NPY1RACP1TLR7HTR2AHTR2C
SCHEMBL7786436 0.89 HTR2A (0.45) NPY1RACP1HTR2AHTR2CHTR2B
SCHEMBL7795892 0.88 HTR2A (0.43) NPY1RACP1HTR2AHTR2CHTR2B
SCHEMBL7786542 0.88 KCNA3 (0.44) NPY1RACP1HRH3KCNA3CHRNB2
SCHEMBL7791763 0.88 ELANE (0.44) NPY1RACP1TLR7HTR2AHTR2C

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