SCHEMBL6708222

SCHEMBL6708222

[CH2]CCC(=O)CCc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
GPR84 Q9NQS5 1/20 0.48
CDYL Q9Y232 1/20 0.47
P2RX7 Q99572 1/20 0.45
ACP3 P15309 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
IAPP P10997 1/20 0.44
MCL1 Q07820 2/20 0.43
CTNNB1 P35222 1/20 0.43
NQO2 P16083 1/20 0.43
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 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
SCHEMBL7340131 0.91 TDP1 (0.58) MTNR1ATDP1GPR84CDYLP2RX7
SCHEMBL9404001 0.84 MTNR1A (0.58) MTNR1ATDP1GPR84CDYLP2RX7
SCHEMBL6282199 0.82 MTNR1A (0.50) MTNR1ATDP1GPR84CDYLP2RX7
SCHEMBL8400463 0.81 IAPP (0.58) MTNR1ATDP1GPR84CDYLP2RX7
SCHEMBL13227199 0.80 CDYL (0.53) MTNR1ATDP1GPR84CDYLP2RX7
SCHEMBL30307853 0.79 TDP1 (0.67) MTNR1ATDP1GPR84CDYLKDM4E
SCHEMBL1566760 0.79 TDP1 (0.56) MTNR1ATDP1GPR84CDYLP2RX7
SCHEMBL1218835 0.79 TDP1 (0.67) MTNR1ATDP1GPR84CDYLKDM4E
SCHEMBL129188 0.78 CYP1A2 (0.54) MTNR1ATDP1ACP3CYP1A2NQO2
SCHEMBL14608998 0.78 MTNR1A (0.49) MTNR1ATDP1GPR84CDYLP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed