SCHEMBL20195210

SCHEMBL20195210

CCn1c2c(c(C3=CCN(C)CC3)cc1=O)C=C(C=O)CCC2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.33
GRM2 Q14416 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTR1A P08908 1/20 0.32
ALOX15 P16050 1/20 0.32
HTR6 P50406 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL20195133 0.70 PTGER4 (0.44) SLC6A4GRM2HTR6
SCHEMBL21474013 0.63 HPGD (0.47) GRM2KDM4EHTR6HSD17B10
SCHEMBL2194891 0.60
SCHEMBL31718158 0.58 QDPR (0.63)
SCHEMBL7804263 0.56 SLC6A4 (0.71) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL17645768 0.56 QDPR (0.62)
SCHEMBL11986944 0.56 SLC6A4 (0.42) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL22900522 0.55 DRD2 (0.43) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL29994239 0.55 SLC6A4 (0.48) SLC6A4
SCHEMBL28862175 0.55 SLC6A4 (0.48) SLC6A4

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-3327004-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORP (JP) 2020-11-04 EP disclosed
EP-3327004-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Fujifilm Corporation (JP) 2018-05-30 EP disclosed