SCHEMBL6892550

SCHEMBL6892550

C[C@@H](O)[C@@H](N)C(NCc1ccc(OC(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
PLA2G1B P04054 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
KDM1A O60341 1/20 0.41
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40
CASR P41180 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRM1 P35372 1/20 0.39
SLC7A5 Q01650 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 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
SCHEMBL165514 0.87 MEN1 (0.47) MEN1KMT2ACASR
SCHEMBL6886251 0.85 TDP1 (0.52) SMN1; SMN2MEN1MAPK1KMT2ANPSR1
SCHEMBL6895924 0.84 ALDH1A1 (0.48) SMN1; SMN2MEN1MAPK1KMT2ANPSR1
SCHEMBL6895745 0.83 LMNA (0.47) SMN1; SMN2MEN1MAPK1KMT2ANPSR1
SCHEMBL6892177 0.81 ATM (0.42) POLBCASRL3MBTL1CYP2D6EPHX2
SCHEMBL6895808 0.81 SMN1; SMN2 (0.57) SMN1; SMN2MEN1MAPK1KMT2ANPSR1
SCHEMBL6894820 0.80 CYP1A2 (0.60) SMN1; SMN2MEN1MAPK1KMT2ANPSR1
SCHEMBL6887059 0.78 TACR1 (0.50)
SCHEMBL6887798 0.77 GAA (0.45) MAPTSMN1; SMN2MAPK1NPSR1ALDH1A1
SCHEMBL164926 0.76 HTR2A (0.50) EPHX1MAPTLMNAOPRM1CYP1A2

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
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed