SCHEMBL5214714

SCHEMBL5214714

CN1CCN(CC(C)(C)OC2=CC[CH]C=C2)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
HTT P42858 1/20 0.33
MC4R P32245 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL4496754 0.75 LTA4H (0.44) ALDH1A1KDM4E
SCHEMBL7276585 0.72
SCHEMBL467600 0.68 MC4R (0.43) ALDH1A1KDM4EMAPTMC4RLMNA
SCHEMBL3572933 0.66 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTRECQLHTT
SCHEMBL18713223 0.65 HTT (0.37) ALDH1A1KDM4EMAPTRECQLHTT
SCHEMBL188649 0.65 HRH3 (0.40) KDM4E
SCHEMBL2476193 0.62 PIK3CA (0.34)
SCHEMBL5253017 0.62 PSMB1 (0.45)
SCHEMBL468785 0.61 ADRA2C (0.34) ALDH1A1KDM4EMAPT
SCHEMBL5108436 0.61 PSMB1 (0.47)

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-1778632-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 EP disclosed
WO-2005123673-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 WO disclosed