SCHEMBL8584281

SCHEMBL8584281

OCC(O)CN1CCNC(c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC18A3 Q16572 2/20 0.42
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
RAD52 P43351 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
SLC6A2 P23975 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7014512 0.80 SLC18A3 (0.51) SLC18A3ALDH1A1LMNA
SCHEMBL7013419 0.76 GSK3B (0.42) LMNA
SCHEMBL27986060 0.75 TMEM97 (0.40) KDM4EALDH1A1
SCHEMBL3277741 0.75 SIGMAR1 (0.54) ALDH1A1
SCHEMBL3272922 0.75 SIGMAR1 (0.54) ALDH1A1
SCHEMBL3272931 0.75 SIGMAR1 (0.54) ALDH1A1
SCHEMBL10864984 0.73 GRIN2B (0.36)
SCHEMBL20449122 0.72 KDM1A (0.43) KDM4EALDH1A1
SCHEMBL20449121 0.72 KDM1A (0.43) KDM4EALDH1A1
SCHEMBL7221409 0.72 DRD1 (0.45) MAPTKDM4ELMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808069-A Salts of 2-(3-benzoylphenyl) propionic acid with organic bases and pharmaceutical compositions thereof DOMPE' FARMACEUTICI SPA (IT) 1998-09-15 US claimed
EP-0703893-A1 SALTS OF 2-(3-BENZOYLPHENYL) PROPIONIC ACID WITH ACHIRAL AND CHIRAL ORGANIC BASES AND PHARMACEUTICAL COMPOSITIONS THEREOF DOMPE FARMACEUTICI S.P.A. (IT) 1996-04-03 EP claimed
WO-1994020449-A1 SALTS OF 2-(3-BENZOYLPHENYL)PROPIONIC ACID WITH ACHIRAL AND CHIRAL ORGANIC BASES AND PHARMACEUTICAL COMPOSITIONS THEREOF DOMPE'FARMACEUTICI SPA (IT) 1994-09-15 WO claimed