SCHEMBL6954016

SCHEMBL6954016

COc1cc2oc(=O)c(C)c(C)c2cc1OCCCN1CCN(c2cccc3ccc(C)nc23)CC1.Cc1ccc2cccc(N3CCNCC3)c2n1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.45
HTR2A P28223 2/20 0.45
ADRA1A P35348 1/20 0.45
DRD3 P35462 1/20 0.44
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR7 Q9NYK1 1/20 0.42

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
SCHEMBL6955005 0.96 PDE3B (0.43) DRD2HTR2AADRA1ADRD3KCNH2
SCHEMBL6735246 0.96 DRD2 (0.47) DRD2HTR2AADRA1ADRD3SLC6A4
Hydrochloric Acid SCHEMBL6948459 0.95 DRD2 (0.47) DRD2HTR2AADRA1ADRD3HTR1A
Hydrochloric Acid SCHEMBL6738843 0.95 DRD2 (0.46) DRD2HTR2AADRA1ADRD3HTR1A
SCHEMBL6736538 0.92 ABCB1 (0.44) DRD2HTR2AADRA1ADRD3SLC6A4
SCHEMBL6955657 0.92 HTR7 (0.47) DRD2HTR2AADRA1ADRD3SLC6A4
Hydrochloric Acid SCHEMBL6944579 0.91 ABCB1 (0.44) DRD2HTR2AADRA1ADRD3HTR1A
Hydrochloric Acid SCHEMBL6740408 0.91 ABCB1 (0.43) DRD2HTR2AADRA1ADRD3HTR1A
SCHEMBL6955839 0.88 HTR2A (0.47) DRD2HTR2AADRA1AHTR1ASLC6A4
SCHEMBL6739040 0.87 HTR7 (0.50) DRD2HTR2AADRA1ADRD3KCNH2

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-1311503-A1 CHROMENONE DERIVATIVES AND THEIR USE FOR TREATING DISEASES IN CONJUNCTION WITH 5-HTA1 RECEPTORS AND/OR DOPAMINE D2 RECEPTORS MERCK PATENT GmbH (DE) 2003-05-21 EP disclosed
WO-2002016354-A1 CHROMENONE DERIVATIVES AND THEIR USE FOR TREATING DISEASES IN CONJUNCTION WITH 5-HTA1 RECEPTORS AND/OR DOPAMINE D2 RECEPTORS MERCK PATENT GMBH (DE) 2002-02-28 WO disclosed