SCHEMBL6955839

SCHEMBL6955839

COc1cc2oc(=O)c(C)c(C)c2cc1OCCN1CCN(c2cccc3cccnc23)CC1.c1cnc2c(N3CCNCC3)cccc2c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
SLC6A4 P31645 2/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 2/20 0.44
HTR6 P50406 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
DRD2 P14416 1/20 0.42
ADRA1A P35348 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
KCNH2 Q12809 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
SCHEMBL6955657 0.96 HTR7 (0.47) HTR2ASLC6A4HTR2CHTR7HTR6
SCHEMBL6734946 0.96 HTR7 (0.47) HTR2AHTR7HTR6DRD2ADRA1A
Hydrochloric Acid SCHEMBL6951566 0.95 HTR7 (0.46) HTR2AHTR7HTR6DRD2ADRA1A
Hydrochloric Acid SCHEMBL6730102 0.94 HTR7 (0.46) HTR2AHTR7HTR6DRD2ADRA1A
SCHEMBL6739040 0.92 HTR7 (0.50) HTR2AHTR7HTR6DRD2ADRA1A
SCHEMBL6955005 0.92 PDE3B (0.43) HTR2APDE3BPDE3ADRD2ADRA1A
Hydrochloric Acid SCHEMBL6952251 0.91 HTR7 (0.49) HTR2AHTR7HTR6DRD2ADRA1A
Hydrochloric Acid SCHEMBL6740134 0.91 DRD2 (0.49) HTR2ASLC6A4HTR7HTR6DRD2
SCHEMBL6954016 0.88 DRD2 (0.45) HTR2ASLC6A4DRD2ADRA1AABCB1
SCHEMBL6736538 0.87 ABCB1 (0.44) HTR2ASLC6A4HTR2CDRD2ADRA1A

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