SCHEMBL6921110

SCHEMBL6921110

O=C1CCCc2[nH]c3c(Cl)cccc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 1.00
TAAR1 Q96RJ0 1/20 0.46
BRD4 O60885 2/20 0.42
DAO P14920 1/20 0.41
MAP2 P11137 1/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
BUB1 O43683 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
ALOX5 P09917 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL6926709 0.81 DYRK1A (0.68) DYRK1ABRD4KDM4EHSD17B10MAPT
SCHEMBL5830904 0.81 DYRK1A (0.68) DYRK1ABRD4KDM4EHSD17B10BUB1
SCHEMBL6695622 0.78 GFER (0.63) DYRK1AKDM4EL3MBTL1HSD17B10ALDH1A1
SCHEMBL1657531 0.74 DYRK1A (0.58) DYRK1AKDM4EL3MBTL1HSD17B10ALDH1A1
SCHEMBL23537356 0.73 PARP1 (0.59) DYRK1ABRD4KDM4EL3MBTL1HSD17B10
SCHEMBL4727564 0.73 TAAR1 (0.62) DYRK1ATAAR1DAOKDM4EL3MBTL1
SCHEMBL31027151 0.73 DYRK1A (0.58) DYRK1AKDM4EHSD17B10ALDH1A1MAPT
SCHEMBL2220752 0.73 DYRK1A (0.58) DYRK1AKDM4EHSD17B10ALDH1A1MAPT
SCHEMBL29824193 0.73 PARP1 (0.59) DYRK1ABRD4KDM4EL3MBTL1HSD17B10
SCHEMBL4730000 0.72 TAAR1 (0.60) DYRK1ATAAR1KDM4EL3MBTL1HSD17B10

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
US-6514968-B1 Treating a disease or condition in a mammal wherein the 5-HT receptor is implicated and modulation of 5-HT function is desired comprising PHARMACIA & UPJOHN COMPANY 2003-02-04 US disclosed
EP-1210329-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-06-05 EP disclosed
WO-2001017963-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2001-03-15 WO disclosed