SCHEMBL6895040

SCHEMBL6895040

C[C@H](NCC(O)C(N)Cc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.53
METAP1 P53582 5/20 0.53
BCHE P06276 1/20 0.47
CASR P41180 3/20 0.45
EPHX2 P34913 2/20 0.45
F2 P00734 1/20 0.45
ACP3 P15309 1/20 0.44
MLNR O43193 1/20 0.43
ABCB11 O95342 1/20 0.43
ADRB1 P08588 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
GLRA1 P23415 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
AVPR2 P30518 1/20 0.43

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
SCHEMBL3351722 1.00 METAP2 (0.53) METAP2METAP1BCHECASREPHX2
SCHEMBL3354050 1.00 METAP2 (0.53) METAP2METAP1BCHECASREPHX2
SCHEMBL7612959 0.81 METAP2 (0.49) METAP2METAP1BCHEEPHX2ACP3
SCHEMBL7612965 0.81 METAP2 (0.49) METAP2METAP1BCHEEPHX2ACP3
SCHEMBL7610434 0.81 METAP2 (0.47) METAP2METAP1BCHECASREPHX2
SCHEMBL7610441 0.81 METAP2 (0.47) METAP2METAP1BCHECASREPHX2
SCHEMBL7610450 0.81 METAP2 (0.47) METAP2METAP1BCHECASREPHX2
SCHEMBL3352220 0.80 BCHE (0.70) BCHEF2SLC6A2SLC6A4SLC6A3
SCHEMBL3347420 0.80 BCHE (0.70) BCHEF2SLC6A2SLC6A4SLC6A3
SCHEMBL3350343 0.80 BCHE (0.70) BCHEF2SLC6A2SLC6A4SLC6A3

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