SCHEMBL7794760

SCHEMBL7794760

COc1cc(OCCCC2CCCNC2)cc2c1-c1c(OCCCC3CCCNC3)cccc1C2=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 7/20 0.42
EED O75530 1/20 0.42
NPY1R P25929 7/20 0.41
KCNA3 P22001 1/20 0.40
ROCK2 O75116 2/20 0.40
PKN2 Q16513 1/20 0.39

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
SCHEMBL7786097 0.96 EED (0.44) ACP1EEDNPY1RKCNA3ROCK2
SCHEMBL7786255 0.94 KCNA3 (0.41) ACP1NPY1RKCNA3
SCHEMBL7795714 0.91 NPY1R (0.42) ACP1NPY1RKCNA3
SCHEMBL7794815 0.91 HTR2A (0.41) ACP1EEDNPY1RKCNA3
SCHEMBL7786088 0.91 NPY1R (0.40) ACP1EEDNPY1RKCNA3
SCHEMBL7786481 0.91 HTR2A (0.41) ACP1EEDNPY1RKCNA3
SCHEMBL7792629 0.91 ACP1 (0.45) ACP1EEDNPY1RKCNA3ROCK2
SCHEMBL7796614 0.90 ALDH1A1 (0.42) ACP1EEDNPY1RKCNA3
SCHEMBL7792139 0.90 ACP1 (0.41) ACP1EEDNPY1RKCNA3
SCHEMBL7794705 0.87 NPY1R (0.41) ACP1NPY1RKCNA3

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