SCHEMBL7792813

SCHEMBL7792813

CCCOc1cc(OCC)cc2c1-c1c(OCCN(CC)CC)cccc1C2=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
CHRNA7 P36544 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOB P27338 1/20 0.41
TTR P02766 1/20 0.40
KCNA3 P22001 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
ALK Q9UM73 2/20 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
SCHEMBL7796132 0.97 MAPT (0.51) MAPTCHRNA7KMT2AMAOBTTR
SCHEMBL27564268 0.96 KMT2A (0.46) MAPTCHRNA7KMT2AMAOBCYP1A2
SCHEMBL7786114 0.95 MAPT (0.51) MAPTCHRNA7KMT2AMAOBTTR
SCHEMBL7792698 0.95 MAPT (0.54) MAPTCHRNA7KMT2AMAOBKCNA3
SCHEMBL7792097 0.95 MAPT (0.54) MAPTCHRNA7KMT2AMAOBKCNA3
SCHEMBL7791978 0.94 MAPT (0.51) MAPTCHRNA7KMT2AMAOBTTR
SCHEMBL7796533 0.93 MAPT (0.54) MAPTCHRNA7KMT2AMAOBTTR
SCHEMBL7792157 0.92 MAPT (0.54) MAPTCHRNA7KMT2AKCNA3ALK
SCHEMBL7792253 0.91 KMT2A (0.49) MAPTCHRNA7KMT2AMAOBTTR
SCHEMBL7796371 0.91 MAPT (0.49) MAPTCHRNA7KMT2AMAOBKCNA3

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