SCHEMBL9400962

SCHEMBL9400962

NCCCCN1CCN(c2ncc(-c3c(F)cccc3Cl)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.46
HTR1A P08908 4/20 0.45
DRD2 P14416 4/20 0.43
DRD3 P35462 3/20 0.43
DRD1 P21728 2/20 0.43
HTR2A P28223 2/20 0.43
DRD5 P21918 1/20 0.43
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
ADRA1A P35348 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
Hydrochloric Acid SCHEMBL10568101 0.99 SIGMAR1 (0.45) SIGMAR1HTR1ADRD2DRD3DRD1
SCHEMBL9400916 0.97 SIGMAR1 (0.44) SIGMAR1HTR1ADRD2DRD3DRD1
SCHEMBL9479943 0.84 HTR1A (0.69) HTR1ADRD2DRD3HTR2A
SCHEMBL9400948 0.78 SLC6A4 (0.52) SIGMAR1HTR1ADRD2DRD3HTR2A
SCHEMBL9400960 0.78 CYP2D6 (0.54) SIGMAR1HTR1ADRD2DRD3HTR2A
SCHEMBL7521159 0.77 SIGMAR1 (0.66) SIGMAR1HTR1ADRD2KDM4ECYP1A2
SCHEMBL9401014 0.77 INPPL1 (0.47) HTR1ADRD2DRD3KDM4EL3MBTL1
SCHEMBL9401021 0.74 SLC6A4 (0.51) SIGMAR1HTR1ADRD2DRD3HTR2A
SCHEMBL9401019 0.74 DRD2 (0.51) SIGMAR1DRD2DRD3DRD5ADRA1A
SCHEMBL9400873 0.74 CYP2D6 (0.59) SIGMAR1HTR1ADRD2DRD3HTR2A

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