SCHEMBL9400941

SCHEMBL9400941

COc1ccc(-c2cnc(N3CCN(CCCN)CC3)nc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.64
DRD2 P14416 3/20 0.52
DRD3 P35462 2/20 0.52
DRD4 P21917 1/20 0.52
SIGMAR1 Q99720 1/20 0.49
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH3 Q9Y5N1 7/20 0.46
SLC6A7 Q99884 1/20 0.46
HTR1A P08908 2/20 0.46
DRD1 P21728 1/20 0.46
HTR2A P28223 1/20 0.46
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
HTR7 P34969 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL9401042 0.96 HSD17B10 (0.59) HSD17B10DRD2DRD3DRD4SIGMAR1
SCHEMBL9401076 0.84 TLR7 (0.56) HSD17B10DRD2DRD3DRD4HTR1A
SCHEMBL9401021 0.83 SLC6A4 (0.51) DRD2DRD3SIGMAR1KMT2AHRH3
SCHEMBL9400873 0.83 CYP2D6 (0.59) DRD2DRD3DRD4SIGMAR1HTR1A
SCHEMBL9400921 0.81 HTR1A (0.49) HSD17B10DRD2DRD3DRD4HRH3
SCHEMBL9401068 0.81 TLR7 (0.55) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL9400948 0.80 SLC6A4 (0.52) DRD2DRD3DRD4SIGMAR1KMT2A
SCHEMBL9400960 0.79 CYP2D6 (0.54) DRD2DRD3DRD4SIGMAR1HTR1A
SCHEMBL11354876 0.78 HSD17B10 (1.00) HSD17B10DRD2DRD3DRD4KMT2A
SCHEMBL8419504 0.77 DRD2 (0.54) DRD2DRD3DRD4MAPTRAB9A

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