SCHEMBL4714175

SCHEMBL4714175

COc1cccc(OC)c1CN1Cc2ccccc2N=C1N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
CTSD P07339 4/20 0.42
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 3/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR5A P47898 1/20 0.35
POLB P06746 1/20 0.35
BACE1 P56817 1/20 0.35
TACR1 P25103 2/20 0.34
CCR3 P51677 1/20 0.34
ADRA2B P18089 1/20 0.33
PTGS1 P23219 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
Acetic Acid SCHEMBL3216929 0.93 SIGMAR1 (0.42) SIGMAR1CTSDALDH1A1MAPK1KDM4E
SCHEMBL3215576 0.87 SIGMAR1 (0.44) SIGMAR1CTSDALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL3210300 0.86 SIGMAR1 (0.43) SIGMAR1CTSDALDH1A1MAPTKDM4E
SCHEMBL4718285 0.85 CA2 (0.45) SIGMAR1CTSDALDH1A1HPGDMAPK1
SCHEMBL4719286 0.85 CTSD (0.43) CTSDALDH1A1MAPK1KDM4ETACR1
SCHEMBL4715532 0.85 CTSD (0.48) SIGMAR1CTSDALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL3212426 0.84 CA2 (0.45) SIGMAR1CTSDALDH1A1HPGDMAPK1
SCHEMBL3209339 0.84 CTSD (0.57) CTSDALDH1A1MAPTKDM4E
SCHEMBL3198015 0.84 CTSD (0.42) CTSDALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL3200551 0.84 CTSD (0.47) CTSDALDH1A1MAPTKDM4EUSP2

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-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO disclosed