SCHEMBL2567757

SCHEMBL2567757

CN1CCCC(Oc2ccc3c(c2)C(CC2CCCCC2)NCC3)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.41
HRH3 Q9Y5N1 4/20 0.40
HTR6 P50406 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SIGMAR1 Q99720 3/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
BCHE P06276 3/20 0.35
ACHE P22303 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL2563412 0.78 HRH3 (0.41) HRH3BCHEACHE
SCHEMBL2565894 0.78 HRH3 (0.41) HRH3BCHEACHE
SCHEMBL2563612 0.78 HRH3 (0.41) HRH3BCHEACHE
SCHEMBL2560474 0.77 BCHE (0.41) HRH3MAOBBCHEACHE
Oxalic Acid SCHEMBL5229363 0.74 HRH3 (0.44) HRH3BCHEACHE
SCHEMBL3550839 0.72 ROCK1 (0.38) PARP1HRH3PDE4APDE4BPDE4C
SCHEMBL2561968 0.72 HRH3 (0.61) HRH3CYP2D6
Oxalic Acid SCHEMBL3550835 0.68 HRH3 (0.56) HRH3CYP2D6
SCHEMBL10686530 0.68 MAOA (0.46) PARP1HRH3MAOAMAOBPDE4A
SCHEMBL15881982 0.68 HRH3 (0.52) PARP1HRH3MAOAMAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960387-B1 ISOQUINOLINE ET BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR SANOFI SA (FR) 2011-11-02 EP claimed
EP-1960387-A1 ISOQUINOLINE ET BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR sanofi-aventis (FR) 2008-08-27 EP claimed
WO-2007060027-A1 ISOQUINOLINE ET BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR SANOFI AVENTIS (FR) 2007-05-31 WO claimed
EP-1790646-A1 Isoquinoline und benzo[h]isoquinoline derivatives, their preparation and their therapeutical application as antagonists of histamine H3 receptor . Sanofi-Aventis (FR) 2007-05-30 EP claimed
EP-1960387-B1 ISOQUINOLINE ET BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR SANOFI SA (FR) 2011-11-02 EP disclosed
EP-1960387-A1 ISOQUINOLINE ET BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR sanofi-aventis (FR) 2008-08-27 EP disclosed
WO-2007060027-A1 ISOQUINOLINE ET BENZO[H]ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR SANOFI AVENTIS (FR) 2007-05-31 WO disclosed
EP-1790646-A1 Isoquinoline und benzo[h]isoquinoline derivatives, their preparation and their therapeutical application as antagonists of histamine H3 receptor . Sanofi-Aventis (FR) 2007-05-30 EP disclosed