SCHEMBL6997808

SCHEMBL6997808

CC(=O)N1CCc2cc3[nH]cc(C4=CCN(C)CC4)c3cc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.55
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
HTR1A P08908 1/20 0.51
ALOX15 P16050 1/20 0.51
HTR6 P50406 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7418832 0.76 KDM4E (0.55) KDM4E
SCHEMBL6992985 0.74 HTR1D (0.55) KDM4EPOLBHTR1A
SCHEMBL7859785 0.74 SLC6A4 (0.72) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7864995 0.74 SLC6A4 (0.72) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7481939 0.73 SLC6A4 (0.70) SLC6A4
Hydrochloric Acid SCHEMBL8786395 0.73 SLC6A4 (0.70) SLC6A4
SCHEMBL7480892 0.72 NOS3 (0.68) SLC6A4
SCHEMBL3341152 0.72 SLC6A4 (0.68) SLC6A4
SCHEMBL5367487 0.72 SLC6A4 (0.76) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL13323539 0.71 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003738-B1 BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-11-19 EP disclosed
US-6391891-B1 ANTISEROTONINE AGENT; ANXIOLYTIC AGENTS, ANTIDEPRESSANTS SMITHKLINE BEECHAM PLC (GB) 2002-05-21 US disclosed
EP-1003738-A1 BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-05-31 EP disclosed
WO-1999007700-A1 BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1999-02-18 WO disclosed