SCHEMBL6955657

SCHEMBL6955657

COc1cc2oc(=O)c(C)c(C)c2cc1OCCCN1CCN(c2cccc3cccnc23)CC1.c1cnc2c(N3CCNCC3)cccc2c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.47
HTR2A P28223 2/20 0.47
DRD2 P14416 2/20 0.47
ADRA1A P35348 1/20 0.47
HTR6 P50406 1/20 0.47
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
DRD3 P35462 1/20 0.45
DNMT1 P26358 1/20 0.45
EHMT2 Q96KQ7 1/20 0.45

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
SCHEMBL6955839 0.96 HTR2A (0.47) HTR7HTR2ADRD2ADRA1AHTR6
SCHEMBL6739040 0.96 HTR7 (0.50) HTR7HTR2ADRD2ADRA1AHTR6
Hydrochloric Acid SCHEMBL6952251 0.95 HTR7 (0.49) HTR7HTR2ADRD2ADRA1AHTR6
Hydrochloric Acid SCHEMBL6740134 0.94 DRD2 (0.49) HTR7HTR2ADRD2ADRA1AHTR6
SCHEMBL6734946 0.92 HTR7 (0.47) HTR7HTR2ADRD2ADRA1AHTR6
SCHEMBL6954016 0.92 DRD2 (0.45) HTR2ADRD2ADRA1ASLC6A4DRD3
Hydrochloric Acid SCHEMBL6951566 0.91 HTR7 (0.46) HTR7HTR2ADRD2ADRA1AHTR6
Hydrochloric Acid SCHEMBL6730102 0.91 HTR7 (0.46) HTR7HTR2ADRD2ADRA1AHTR6
SCHEMBL6955005 0.88 PDE3B (0.43) HTR2ADRD2ADRA1ADRD3
SCHEMBL6735246 0.87 DRD2 (0.47) HTR2ADRD2ADRA1AHTR2CSLC6A4

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