SCHEMBL7795703

SCHEMBL7795703

COc1cc(OCCCC2CCCNC2)c(N)c2c1-c1c(OCCCC3CCCNC3)cccc1C2=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 8/20 0.40
ROCK2 O75116 3/20 0.39
EED O75530 1/20 0.39
PKN2 Q16513 1/20 0.38
NPY1R P25929 7/20 0.38
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL7792073 0.94 KCNA3 (0.35) ACP1ROCK2NPY1R
SCHEMBL7794774 0.92 TLR7 (0.42) ACP1NPY1RTLR7
SCHEMBL7792007 0.92 IKBKB (0.40) ACP1NPY1RTLR7
SCHEMBL7792438 0.92 ACP1 (0.38) ACP1NPY1RTLR7
SCHEMBL7794665 0.88 ACP1 (0.43) ACP1ROCK2EEDPKN2NPY1R
SCHEMBL7792629 0.87 ACP1 (0.45) ACP1ROCK2EEDPKN2NPY1R
SCHEMBL7794789 0.86 HTR2A (0.38) ACP1NPY1R
SCHEMBL7792367 0.86 HTR2A (0.41) ACP1NPY1RTLR7
SCHEMBL7792686 0.86 IKBKB (0.38) ACP1NPY1RTLR7
SCHEMBL7794760 0.85 ACP1 (0.42) ACP1ROCK2EEDPKN2NPY1R

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