SCHEMBL4972144

SCHEMBL4972144

Fc1ccc(C2COCC[N]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
GSK3B P49841 1/20 0.35
BACE1 P56817 1/20 0.35
NOS3 P29474 6/20 0.34
NOS2 P35228 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.32
CYP19A1 P11511 1/20 0.31
SLC6A2 P23975 2/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
SLC6A4 P31645 2/20 0.31
HTR2B P41595 2/20 0.31
SLC6A3 Q01959 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL4972612 0.81 KDM1A (0.32) KDM1AATMCYP19A1HTR2AHTR2C
SCHEMBL5537151 0.81 TAAR1 (0.46) KDM1ANOS3SLC6A2SLC6A4SLC6A3
SCHEMBL894904 0.81 TAAR1 (0.43) KDM1ASLC6A2HTR2CSLC6A3ALDH1A1
SCHEMBL7061062 0.79 CYP1A2 (0.32)
SCHEMBL10379980 0.71 KDM1A (0.42) KDM1AGSK3BBACE1NOS3NOS2
SCHEMBL4971045 0.70 CYP2A6 (0.46) CYP19A1MEN1KMT2A
SCHEMBL2088654 0.69 KDM4E (0.34) TDP1MEN1KMT2ALMNA
SCHEMBL6982998 0.69 KDM1A (0.41) KDM1AGSK3BBACE1NOS3NOS2
SCHEMBL2317406 0.69 HTR2C (0.40) KDM1AGSK3BNOS3NOS2HTR2C
SCHEMBL7353488 0.69 TAAR1 (0.51) KDM1ASLC6A2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991540-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
WO-2007098214-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO disclosed
EP-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
EP-0719258-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed
WO-1996002508-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-02-01 WO disclosed
US-5017724-A Antihypoxic, CNS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0267024-B1 HYDROFLUORENE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 EP disclosed
EP-0267024-A2 Hydrofluorene derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 EP disclosed