SCHEMBL9401023

SCHEMBL9401023

CC(=O)Nc1ccc2c(=O)n(CCCCN3CCN(c4ncccn4)CC3)c(=O)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.56
TSHR P16473 2/20 0.56
ERCC1 P07992 1/20 0.49
FEN1 P39748 1/20 0.49
ERCC4 Q92889 1/20 0.49
ADRA1B P35368 1/20 0.49
HTR1A P08908 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 1/20 0.48
DRD3 P35462 1/20 0.48
MAPK14 Q16539 1/20 0.47
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PARP1 P09874 1/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL9400974 0.98 DRD2 (0.56) DRD2TSHRERCC1FEN1ERCC4
SCHEMBL9401066 0.93 DRD2 (0.56) DRD2TSHRERCC1FEN1ERCC4
SCHEMBL9400900 0.91 DRD2 (0.56) DRD2TSHRERCC1FEN1ERCC4
SCHEMBL9400894 0.82 TSHR (0.57) TSHRADRA1BHTR1AHTR7ALDH1A1
SCHEMBL9400926 0.81 TSHR (0.74) DRD2TSHRADRA1BHTR1AHTR7
SCHEMBL9401041 0.80 TSHR (0.55) DRD2TSHRADRA1BHTR1AHTR2A
SCHEMBL9401020 0.80 TSHR (0.55) TSHRADRA1BHTR1AHTR7ALDH1A1
SCHEMBL9401049 0.79 TSHR (0.54) DRD2TSHRADRA1BHTR1AHTR2A
SCHEMBL9400975 0.79 TSHR (0.71) DRD2TSHRADRA1BHTR7DRD3
SCHEMBL10642303 0.77 ADRA2A (0.70) DRD2ADRA1BHTR1AHTR7DRD3

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