SCHEMBL9401043

SCHEMBL9401043

Cn1c(=O)n(CCCCN2CCN(c3ncccn3)CC2)c(=O)c2ccc(F)cc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.52
DRD2 P14416 5/20 0.52
HTR2A P28223 5/20 0.52
DRD3 P35462 4/20 0.52
DRD1 P21728 3/20 0.52
DRD5 P21918 2/20 0.52
ADRA2C P18825 1/20 0.48
DRD4 P21917 1/20 0.48
HTR2C P28335 1/20 0.48
HRH1 P35367 1/20 0.48
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL9401037 0.84 HTR1A (0.51) HTR1ADRD2HTR2ADRD3ADRA2C
SCHEMBL9480350 0.82 HTR1A (0.48) HTR1ADRD2HTR2A
SCHEMBL9400862 0.78 TSHR (0.57) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL9401041 0.78 TSHR (0.55) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL9400970 0.76 TSHR (0.55) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL9401027 0.73 HTR1A (0.54) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL9400929 0.70 MAPT (0.54) HTR1ATSHRSMN1; SMN2
SCHEMBL23302566 0.69 PARP1 (0.54) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL29882419 0.69 PARP1 (0.54) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL9400894 0.69 TSHR (0.57) HTR1ATSHRSMN1; 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 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