SCHEMBL9401026

SCHEMBL9401026

O=C1Cc2ccccc2C(=O)N1CC(O)CN1CCN(c2ncccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.52
DRD3 P35462 8/20 0.49
DRD2 P14416 5/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 4/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
APAF1 O14727 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9400994 0.89 HTR1A (0.42) HTR1ADRD3DRD2DRD1PRMT5
SCHEMBL9400933 0.87 HTR1A (0.63) HTR1ADRD3DRD2DRD4ALDH1A1
SCHEMBL9400909 0.81 HTR1A (0.72) HTR1ADRD3DRD2DRD1DRD4
SCHEMBL9400995 0.81 HTR1A (0.76) HTR1ADRD3DRD2DRD1DRD4
SCHEMBL11104845 0.77 ALDH1A1 (0.63) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL9481460 0.74 HTR1A (0.68) HTR1ADRD3DRD2DRD4ALDH1A1
SCHEMBL11106525 0.74 HTR1A (0.53) HTR1ADRD2DRD4MEN1KMT2A
SCHEMBL11114528 0.74 HTR1A (0.50) HTR1ADRD2DRD4ALDH1A1MAPT
SCHEMBL9400979 0.72 HTR1A (0.47) HTR1ADRD2ALDH1A1MAPTKMT2A
SCHEMBL11108098 0.72 LMNA (0.63) DRD3DRD2DRD4ALDH1A1MAPT

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