SCHEMBL7792438

SCHEMBL7792438

CCOc1cc(OCCCC2CCCNC2)c(N)c2c1-c1c(OCCCC3CCCNC3)cccc1C2=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 4/20 0.38
IKBKB O14920 4/20 0.38
NPY1R P25929 7/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
TTR P02766 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL7792007 0.94 IKBKB (0.40) ACP1IKBKBNPY1RHTR2AHTR2C
SCHEMBL7794774 0.94 TLR7 (0.42) ACP1IKBKBNPY1RHTR2AHTR2C
SCHEMBL7794789 0.94 HTR2A (0.38) ACP1IKBKBNPY1RHTR2AHTR2C
SCHEMBL7795703 0.92 ACP1 (0.40) ACP1NPY1RTLR7
SCHEMBL7792794 0.90 NPY1R (0.41) ACP1NPY1RHTR2AHTR2CHTR2B
SCHEMBL7792367 0.89 HTR2A (0.41) ACP1IKBKBNPY1RHTR2AHTR2C
SCHEMBL7792686 0.89 IKBKB (0.38) ACP1IKBKBNPY1RHTR2AHTR2C
SCHEMBL7795892 0.88 HTR2A (0.43) ACP1NPY1RHTR2AHTR2CHTR2B
SCHEMBL7792073 0.86 KCNA3 (0.35) ACP1NPY1RHTR2AHTR2CHTR2B
SCHEMBL7792139 0.85 ACP1 (0.41) ACP1NPY1RHTR2AHTR2CHTR2B

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