SCHEMBL7794774

SCHEMBL7794774

CCCCOc1cc(OCCCC2CCCNC2)c(N)c2c1-c1c(OCCCC3CCCNC3)cccc1C2=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.42
ACP1 P24666 2/20 0.41
IKBKB O14920 4/20 0.39
NPY1R P25929 11/20 0.39
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL7792007 0.96 IKBKB (0.40) TLR7ACP1IKBKBNPY1RHTR2A
SCHEMBL7792438 0.94 ACP1 (0.38) TLR7ACP1IKBKBNPY1RHTR2A
SCHEMBL7792686 0.94 IKBKB (0.38) TLR7ACP1IKBKBNPY1RHTR2A
SCHEMBL7795703 0.92 ACP1 (0.40) TLR7ACP1NPY1R
SCHEMBL7792367 0.91 HTR2A (0.41) TLR7ACP1IKBKBNPY1RHTR2A
SCHEMBL7792560 0.90 NPY1R (0.43) TLR7ACP1IKBKBNPY1RHTR2A
SCHEMBL7794789 0.89 HTR2A (0.38) ACP1IKBKBNPY1RHTR2AHTR2C
SCHEMBL7792073 0.86 KCNA3 (0.35) ACP1NPY1RHTR2AHTR2CHTR2B
SCHEMBL7792350 0.86 HTR2A (0.44) TLR7ACP1IKBKBNPY1RHTR2A
SCHEMBL7795714 0.85 NPY1R (0.42) TLR7ACP1NPY1R

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