SCHEMBL9400860

SCHEMBL9400860

O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ncc(-c3ccc(Cl)cc3)cn2)CC1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.70
DRD2 P14416 3/20 0.55
DRD3 P35462 3/20 0.55
DRD4 P21917 2/20 0.55

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
SCHEMBL9400969 0.98 HTR1A (0.67) HTR1ADRD2DRD3
SCHEMBL9401058 0.93 HTR1A (0.60) HTR1A
SCHEMBL9400913 0.91 HTR1A (0.76) HTR1ADRD2DRD3
SCHEMBL9400951 0.89 HTR1A (0.72) HTR1ADRD2DRD3
SCHEMBL9400855 0.86 HTR1A (0.62) HTR1ADRD2DRD3DRD4
SCHEMBL9400886 0.85 HTR1A (0.52) HTR1ADRD2DRD3DRD4
SCHEMBL9401039 0.82 HTR1A (1.00) HTR1ADRD2DRD3
SCHEMBL29554527 0.82 HTR1A (1.00) HTR1ADRD2DRD3DRD4
SCHEMBL9400881 0.82 HTR1A (1.00) HTR1ADRD2DRD3DRD4
SCHEMBL9400979 0.82 HTR1A (0.47) HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5314884-A Antidepressants, anxiolytic agents TROPONWERKE GMBH & CO. (DE) 1994-05-24 US disclosed
US-5187276-A Anxiolytics, neuroleptics, antidepressants, and nootropic agents TROPONWERKE GMBH & CO. KG. (DE) 1993-02-16 US disclosed
US-4988809-A CENTRAL NERVOUS SYSTEM TROPONWERKE GMBH & CO., KG (DE) 1991-01-29 US disclosed
EP-0129128-B1 2-PYRIMIDINYL-1-PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Troponwerke GmbH & Co. KG (DE) 1990-11-22 EP disclosed
US-4937343-A NEUROLEPTICS OR ANTIDEPRESSANTS TROPONWERKE GMBH & CO. KG (DE) 1990-06-26 US disclosed
US-4818756-A CENTRAL NERVOUS SYSTEM DISORDERS TROPONWERKE GMBH & CO., KG (DE) 1989-04-04 US disclosed
EP-0129128-A2 2-Pyrimidinyl-1-piperazine derivatives, process for their preparation and medicines containing them Troponwerke GmbH & Co. KG (DE) 1984-12-27 EP disclosed