SCHEMBL7792629

SCHEMBL7792629

COc1cccc2c1-c1c(OCCCC3CCCNC3)cccc1C2=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 7/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPY1R P25929 7/20 0.42
EED O75530 1/20 0.42
ROCK2 O75116 2/20 0.41
PKN2 Q16513 1/20 0.41
KCNA3 P22001 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 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
SCHEMBL7794665 0.95 ACP1 (0.43) ACP1MEN1KMT2ANPY1REED
SCHEMBL7795892 0.91 HTR2A (0.43) ACP1KMT2ANPY1RKCNA3CHRNB2
SCHEMBL7792683 0.91 HTR2A (0.46) ACP1KMT2ANPY1RKCNA3CHRNB2
SCHEMBL7794760 0.91 ACP1 (0.42) ACP1NPY1REEDROCK2PKN2
SCHEMBL7786097 0.91 EED (0.44) ACP1NPY1REEDROCK2PKN2
SCHEMBL7786542 0.89 KCNA3 (0.44) ACP1KMT2ANPY1RKCNA3CHRNB2
SCHEMBL7792232 0.88 MEN1 (0.42) ACP1MEN1KMT2ANPY1RROCK2
SCHEMBL7795703 0.87 ACP1 (0.40) ACP1NPY1REEDROCK2PKN2
SCHEMBL7792350 0.86 HTR2A (0.44) ACP1KMT2ANPY1RKCNA3CHRNB2
SCHEMBL7792794 0.86 NPY1R (0.41) ACP1KMT2ANPY1RKCNA3CHRNB2

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