SCHEMBL4973990

SCHEMBL4973990

CCOC(=O)Nc1ccc(CCNc2ccc(Cl)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.64
CNR1 P21554 11/20 0.54
EPHX2 P34913 1/20 0.54
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.52
FPR2 P25090 1/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL3109040 0.86 MAPT (0.69) L3MBTL1EPHX2KMT2AALDH1A1MAPT
SCHEMBL1187952 0.85 L3MBTL1 (0.77) L3MBTL1KMT2AALDH1A1MAPTNPC1
SCHEMBL11244018 0.84 MAPT (0.57) L3MBTL1EPHX2KMT2AALDH1A1MAPT
SCHEMBL6442057 0.83 L3MBTL1 (0.48) L3MBTL1CNR1EPHX2KMT2AALDH1A1
SCHEMBL4972267 0.83 KCNQ2 (0.60) L3MBTL1CNR1EPHX2ALDH1A1MAPT
SCHEMBL6389065 0.80 MAPT (0.53) L3MBTL1CNR1KMT2AALDH1A1MAPT
SCHEMBL793743 0.80 KMT2A (0.70) L3MBTL1CNR1EPHX2KMT2AMAPT
SCHEMBL14349951 0.79 RAB9A (0.58) L3MBTL1ALDH1A1MAPTNPC1RAB9A
SCHEMBL11047592 0.79 L3MBTL1 (0.68) L3MBTL1KMT2AALDH1A1MAPTNPC1
SCHEMBL989005 0.78 SMN1; SMN2 (0.60) L3MBTL1CNR1EPHX2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606247-A1 SUBSTITUTED ANILINE DERIVATIVES H. Lundbeck A/S (DK) 2005-12-21 EP claimed
WO-2004080950-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-23 WO claimed
EP-1983974-A1 USE OF KCNQ-OPENERS FOR TREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA H. Lundbeck A/S (DK) 2008-10-29 EP disclosed
WO-2007090409-A1 USE OF KCNQ-OPENERS FOR THREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA H. LUNDBECK A/S (DK) 2007-08-16 WO disclosed
EP-1606247-A1 SUBSTITUTED ANILINE DERIVATIVES H. Lundbeck A/S (DK) 2005-12-21 EP disclosed
WO-2004080950-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-23 WO disclosed